1-chloro-2-(2-chloroethylsulfanylmethoxymethylsulfanyl)ethane (CED0310727)

Record Information

Version

1.0

Creation Date

2026-09-01 09:02:45 UTC

Update Date

2026-09-01 09:02:45 UTC

SynCED ID

CED0310727

Secondary Accession Numbers

CHEM356450

Identification

Common Name

1-chloro-2-(2-chloroethylsulfanylmethoxymethylsulfanyl)ethane

Class

Small Molecule

Description

1-chloro-2-(2-chloroethylsulfanylmethoxymethylsulfanyl)ethane is a chemical compound with the formula C6H12Cl2OS2. It has an average molecular weight of 235.20 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₁₂Cl₂OS₂

Average Molecular Mass

Not Available

Monoisotopic Mass

233.971 g/mol

CAS Registry Number

63918-90-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C(CCl)SCOCSCCCl

InChI Identifier

InChI=1S/C6H12Cl2OS2/c7-1-3-10-5-9-6-11-4-2-8/h1-6H2

InChI Key

IJGBNRTYNRKNHS-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
191.0 Log mg/kg [100:340]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	S-methylmethionine--homocysteine S-methyltransferase BHMT2	Q9H2M3	Humans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.139 Low confidence Statistical Significance 0.0134 Supporting Reference Compounds 1 E-value 104.474
Click to view 3D structure	Betaine--homocysteine S-methyltransferase 1	Q93088	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.135 Low confidence Statistical Significance 0.0181 Supporting Reference Compounds 1 E-value 140.907
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.129 Applicability Domain 0.147 Low confidence Statistical Significance 0.5159 Supporting Reference Compounds 20 E-value 4015.93
Click to view 3D structure	Superoxide dismutase [Cu-Zn]	P00441	Humans	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.128 Low confidence Statistical Significance 0.1791 Supporting Reference Compounds 1 E-value 1394.28
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.147 Low confidence Statistical Significance 0.8219 Supporting Reference Compounds 55 E-value 6398.74
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.182 Low confidence Statistical Significance 0.9989 Supporting Reference Compounds 506 E-value 7776.59
Click to view 3D structure	Carboxypeptidase M	P14384	Humans	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.125 Low confidence Statistical Significance 0.0056 Supporting Reference Compounds 1 E-value 43.9848
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.119 Applicability Domain 0.182 Low confidence Statistical Significance 0.9991 Supporting Reference Compounds 593 E-value 7777.68
Click to view 3D structure	S-ribosylhomocysteine lyase	P45578	Escherichia coli K-12	Predicted (SEA)	Prediction Confidence Score 0.119 Applicability Domain 0.119 Low confidence Statistical Significance 0.0321 Supporting Reference Compounds 1 E-value 249.585
Click to view 3D structure	S-ribosylhomocysteine lyase	Q9Z5X1	Vibrio campbellii	Predicted (SEA)	Prediction Confidence Score 0.119 Applicability Domain 0.119 Low confidence Statistical Significance 0.0321 Supporting Reference Compounds 1 E-value 249.585
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.117 Applicability Domain 0.182 Low confidence Statistical Significance 0.9963 Supporting Reference Compounds 297 E-value 7756.04
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.117 Applicability Domain 0.139 Low confidence Statistical Significance 0.9943 Supporting Reference Compounds 106 E-value 7740.86
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.116 Applicability Domain 0.182 Low confidence Statistical Significance 0.9946 Supporting Reference Compounds 203 E-value 7743.12
Click to view 3D structure	S-ribosylhomocysteine lyase	O34667	Bacillus subtilis (strain 168)	Predicted (SEA)	Prediction Confidence Score 0.114 Applicability Domain 0.119 Low confidence Statistical Significance 0.0256 Supporting Reference Compounds 2 E-value 199.683
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.11 Applicability Domain 0.139 Low confidence Statistical Significance 0.077 Supporting Reference Compounds 2 E-value 599.517
Click to view 3D structure	Transporter	Q63380	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.11 Applicability Domain 0.182 Low confidence Statistical Significance 0.9813 Supporting Reference Compounds 54 E-value 7639.5
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.107 Applicability Domain 0.125 Low confidence Statistical Significance 0.9997 Supporting Reference Compounds 451 E-value 7782.9
Click to view 3D structure	Plasma membrane ATPase 1	P05030	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)	Predicted (SEA)	Prediction Confidence Score 0.106 Applicability Domain 0.106 Low confidence Statistical Significance 0.3973 Supporting Reference Compounds 1 E-value 3092.64
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.106 Applicability Domain 0.128 Low confidence Statistical Significance 0.9986 Supporting Reference Compounds 296 E-value 7774.1
Click to view 3D structure	Cysteine protease ATG4A	Q8WYN0	Humans	Predicted (SEA)	Prediction Confidence Score 0.105 Applicability Domain 0.105 Low confidence Statistical Significance 0.258 Supporting Reference Compounds 1 E-value 2008.43
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.105 Applicability Domain 0.114 Low confidence Statistical Significance 0.9998 Supporting Reference Compounds 562 E-value 7783.37
Click to view 3D structure	Acetylcholinesterase	P07140	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.103 Applicability Domain 0.125 Low confidence Statistical Significance 0.0995 Supporting Reference Compounds 2 E-value 774.444
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.103 Applicability Domain 0.116 Low confidence Statistical Significance 0.9997 Supporting Reference Compounds 507 E-value 7782.35
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.103 Applicability Domain 0.107 Low confidence Statistical Significance 0.9998 Supporting Reference Compounds 955 E-value 7783.75
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.102 Applicability Domain 0.116 Low confidence Statistical Significance 0.9999 Supporting Reference Compounds 1498 E-value 7783.91