3-(Dimethoxymethylsilyl)propanethiol (CED0074750)

Record Information

Version

1.0

Creation Date

2026-04-04 23:30:39 UTC

Update Date

2026-08-23 07:59:17 UTC

Accession Number

CHEM084988

Identification

Common Name

3-(Dimethoxymethylsilyl)propanethiol

Class

Small Molecule

Description

3-(Dimethoxymethylsilyl)propanethiol is an organometalloid compound with the chemical formula C6H16O2SSi and an average molecular weight of 180.34 g/mol. 3-(Dimethoxymethylsilyl)propanethiol belongs to the organosilicon compounds, a subclass of organometalloid compounds within the organic compounds. In industrial settings, this compound is utilized as an adhesion/cohesion promoter and as a chemical reaction regulator. It has been identified in seven recorded sources, spanning several categories of materials. Within electrical and electronic equipment, it is found in antennas, magnets, loudspeakers, power cables, and cores yokes or armatures. Additionally, it is released from building and construction sources, specifically from roofs and floors.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₁₆O₂SSi

Average Molecular Mass

180.340 g/mol

Monoisotopic Mass

180.064 g/mol

CAS Registry Number

31001-77-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CO[Si](C)(CCCS)OC

InChI Identifier

InChI=1/C6H16O2SSi/c1-7-10(3,8-2)6-4-5-9/h9H,4-6H2,1-3H3

InChI Key

IKYAJDOSWUATPI-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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
1581.0	Log mg/kg	[890:2800]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
497	Floors	Building & Construction	Not Available
499	Roofs	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
526	Loudspeakers	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

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	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	7678.58
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	7735.25
Click to view 3D structure	Polyamine deacetylase HDAC10	Q969S8	Humans	Predicted (SEA)	7486.14
Click to view 3D structure	Histone deacetylase 3	O15379	Humans	Predicted (SEA)	7714.78
Click to view 3D structure	Histone deacetylase 4	P56524	Humans	Predicted (SEA)	7680.6
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	7703.34
Click to view 3D structure	Neutrophil collagenase	P22894	Humans	Predicted (SEA)	7525.14
Click to view 3D structure	Leucine aminopeptidase	Q29571	Sus scrofa	Predicted (SEA)	26.313
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	7770.52
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	7740.08
Click to view 3D structure	Dihydrofolate reductase	P0ABQ4	Escherichia coli (strain K12)	Predicted (SEA)	6584.25
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	7776.44
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	7771.3
Click to view 3D structure	Bifunctional dihydrofolate reductase-thymidylate synthase	Q27713	Plasmodium berghei str. ANKA	Predicted (SEA)	2287.6
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	7693.06
Click to view 3D structure	Cytochrome P450 2C23	P24470	Rattus norvegicus	Predicted (SEA)	259.627
Click to view 3D structure	Dihydrofolate reductase	Q920D2	Rattus norvegicus	Predicted (SEA)	6550.86
Click to view 3D structure	Dihydrofolate reductase	P04174	Neisseria gonorrhoeae	Predicted (SEA)	2390.83
Click to view 3D structure	Dihydrofolate reductase	P00374	Humans	Predicted (SEA)	7621.83
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	7757.99
Click to view 3D structure	Bifunctional dihydrofolate reductase-thymidylate synthase	Q07422	Toxoplasma gondii	Predicted (SEA)	7138.77
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	7778.23
Click to view 3D structure	Carnitine palmitoyltransferase 1A	Q9MYX2	Sus scrofa	Predicted (SEA)	467.874
Click to view 3D structure	Bifunctional dihydrofolate reductase-thymidylate synthase	P13922	Plasmodium falciparum (isolate K1 / Thailand)	Predicted (SEA)	5836.82
Click to view 3D structure	Dihydrofolate reductase	Q8Z9J9	Salmonella enterica subsp. enterica serovar Typhi	Predicted (SEA)	3214.32