1,5-bis(2-chloroethylsulfanyl)pentane (CED0315598)

Record Information
Version1.0
Creation Date2026-09-01 16:23:09 UTC
Update Date2026-09-01 16:23:09 UTC
SynCED IDCED0315598
Secondary Accession Numbers
  • CHEM361543
Identification
Common Name1,5-bis(2-chloroethylsulfanyl)pentane
ClassSmall Molecule
Description
1,5-bis(2-chloroethylsulfanyl)pentane is a chemical compound with the formula C9H18Cl2S2 and an average molecular weight of 261.30 g/mol. It has been found in or released from one recorded source: Building & Construction (Tents Or Canopies).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H18Cl2S2
Average Molecular MassNot Available
Monoisotopic Mass260.023 g/mol
CAS Registry Number142868-94-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESC(CCSCCCl)CCSCCCl
InChI IdentifierInChI=1S/C9H18Cl2S2/c10-4-8-12-6-2-1-3-7-13-9-5-11/h1-9H2
InChI KeyCUJOZMZOOCTTAZ-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1644.0 Log mg/kg [920:2900]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000503Tents Or Canopies?Tents and canopies used in various applications can be a source of synthetic chemical contamination primarily due to the materials from which they are made.Building & ConstructionPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Betaine--homocysteine S-methyltransferase 1 structureClick to view 3D structureBetaine--homocysteine S-methyltransferase 1Q93088HumansPredicted (SEA)
Prediction Confidence Score
0.242
Applicability Domain
0.242 Low confidence
Statistical Significance
8.10e-04
Supporting Reference Compounds
1
E-value
6.30579
Cytosolic beta-glucosidase structureClick to view 3D structureCytosolic beta-glucosidaseQ9H227HumansPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.231 Low confidence
Statistical Significance
3.00e-04
Supporting Reference Compounds
1
E-value
2.33548
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.209
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0657
Supporting Reference Compounds
55
E-value
511.859
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.209
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0129
Supporting Reference Compounds
20
E-value
100.503
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.195
Applicability Domain
0.25 Low confidence
Statistical Significance
0.4848
Supporting Reference Compounds
106
E-value
3774.52
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.182
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0041
Supporting Reference Compounds
6
E-value
31.6846
Juvenile hormone esterase structureClick to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)
Prediction Confidence Score
0.172
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0076
Supporting Reference Compounds
2
E-value
59.5547
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP07140Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.169
Applicability Domain
0.207 Low confidence
Statistical Significance
0.0021
Supporting Reference Compounds
2
E-value
16.4262
Acylcarnitine hydrolase structureClick to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0089
Supporting Reference Compounds
2
E-value
69.0523
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.159
Applicability Domain
0.25 Low confidence
Statistical Significance
0.4053
Supporting Reference Compounds
40
E-value
3155.31
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.149
Applicability Domain
0.235 Low confidence
Statistical Significance
0.9854
Supporting Reference Compounds
406
E-value
7671.18
Click to view 3D structureS-methylmethionine--homocysteine S-methyltransferase BHMT2Q9H2M3HumansPredicted (SEA)
Prediction Confidence Score
0.143
Applicability Domain
0.143 Low confidence
Statistical Significance
0.0119
Supporting Reference Compounds
1
E-value
92.6406
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)
Prediction Confidence Score
0.143
Applicability Domain
0.235 Low confidence
Statistical Significance
0.9776
Supporting Reference Compounds
234
E-value
7610.23
Putative agmatine deiminase structureClick to view 3D structurePutative agmatine deiminaseQ8DW17Streptococcus mutans serotype c (strain ATCC 700610 / UA159)Predicted (SEA)
Prediction Confidence Score
0.129
Applicability Domain
0.129 Low confidence
Statistical Significance
0.011
Supporting Reference Compounds
1
E-value
85.3227
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.127
Applicability Domain
0.25 Low confidence
Statistical Significance
0.032
Supporting Reference Compounds
4
E-value
248.884
Click to view 3D structurePhospholipase BQ9P8P2Cryptococcus neoformansPredicted (SEA)
Prediction Confidence Score
0.12
Applicability Domain
0.12 Low confidence
Statistical Significance
0.0116
Supporting Reference Compounds
1
E-value
90.6165
Click to view 3D structurePhospholipase A2P04055Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.117
Applicability Domain
0.128 Low confidence
Statistical Significance
0.0694
Supporting Reference Compounds
2
E-value
539.962
Aminodeoxyfutalosine nucleosidase structureClick to view 3D structureAminodeoxyfutalosine nucleosidaseQ9ZMY2Helicobacter pylori (strain J99 / ATCC 700824) (Campylobacter pylori J99)Predicted (SEA)
Prediction Confidence Score
0.117
Applicability Domain
0.133 Low confidence
Statistical Significance
0.1946
Supporting Reference Compounds
2
E-value
1515.34
Click to view 3D structurePalmitoyltransferase ZDHHC7Q9NXF8HumansPredicted (SEA)
Prediction Confidence Score
0.116
Applicability Domain
0.116 Low confidence
Statistical Significance
0.0624
Supporting Reference Compounds
1
E-value
485.468
G-protein coupled receptor 84 structureClick to view 3D structureG-protein coupled receptor 84Q9NQS5HumansPredicted (SEA)
Prediction Confidence Score
0.114
Applicability Domain
0.171 Low confidence
Statistical Significance
0.8194
Supporting Reference Compounds
15
E-value
6379.12
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.112
Applicability Domain
0.159 Low confidence
Statistical Significance
0.9994
Supporting Reference Compounds
593
E-value
7780.48
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.112
Applicability Domain
0.162 Low confidence
Statistical Significance
0.9976
Supporting Reference Compounds
296
E-value
7765.93
Click to view 3D structureSterol O-acyltransferase 1Q60457Cricetulus griseusPredicted (SEA)
Prediction Confidence Score
0.109
Applicability Domain
0.109 Low confidence
Statistical Significance
0.4276
Supporting Reference Compounds
1
E-value
3328.75
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.107
Applicability Domain
0.15 Low confidence
Statistical Significance
0.9974
Supporting Reference Compounds
205
E-value
7764.92
Click to view 3D structureGlutaminase kidney isoform, mitochondrialP13264Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.106
Applicability Domain
0.106 Low confidence
Statistical Significance
0.5185
Supporting Reference Compounds
1
E-value
4036.4
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available