2-(1-Carboxyethylsulfanylcarbothioylsulfanyl)propanoic acid
Basic information
- CAS
6332-91-8- Standard SMILES
CC(SC(=S)SC(C)C(=O)O)C(=O)O- InChIKey
WJSJKNCWBHCYME-UHFFFAOYSA-N- Molecular formula
- C7H10O4S3
- Average molar mass
- 254.4 g/mol
- Monoisotopic mass
- 253.97412232
Names & identifiers
- Preferred name
- 2-(1-Carboxyethylsulfanylcarbothioylsulfanyl)propanoic acid
- IUPAC
- 2-(1-carboxyethylsulfanylcarbothioylsulfanyl)propanoic acid
- English name
- 2-(1-carboxyethylsulfanylcarbothioylsulfanyl)propanoic acid
- Molecular formula
- C7H10O4S3
- Molecular weight
- 254.3469
Names & synonyms
6332-91-82-(1-carboxyethylsulfanylcarbothioylsulfanyl)propanoic acid2,2'-(thiocarbonylbis(sulfanediyl))dipropionic acid2,2'-[Thiocarbonylbis(sulfanediyl)]dipropionic acidNSC38769SCHEMBL1549986DTXSID50284737WJSJKNCWBHCYME-UHFFFAOYSA-NMFCD28126780NSC-38769C39942,2'-[Carbonothioylbis(sulfanediyl)]dipropanoic acid
Show more names
2,2a(2)-[Carbonothioylbis(thio)]bis[propanoic acid]
Database identifiers
- CAS
6332-91-8- PubChem CID
- 236346
- DTXSID
DTXSID50284737- Nikkaji
- J2.216.594A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 2,2'-[carbonothioylbis(thio)]bis-: ACTIVE
Suppliers
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Related reactions
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Compound notes
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