Basic information
- CAS
6302-95-0- Standard SMILES
CCOC(=S)SCCC(=O)O- InChIKey
VCYCIRVMFZRAGH-UHFFFAOYSA-N- Molecular formula
- C6H10O3S2
- Average molar mass
- 194.3 g/mol
- Monoisotopic mass
- 194.00713652
Names & identifiers
- Preferred name
- 3-[(Ethoxycarbothioyl)sulfanyl]propanoic acid
- IUPAC
- 3-ethoxycarbothioylsulfanylpropanoic acid
- English name
- 3-ethoxycarbothioylsulfanylpropanoic acid
- Molecular formula
- C6H10O3S2
- Molecular weight
- 194.27
Names & synonyms
6302-95-03-[(ethoxycarbothioyl)sulfanyl]propanoic acidNSC41552SCHEMBL17805902DTXSID90285364NSC-415523-[(Ethoxycarbonothioyl)sulfanyl]propanoic acid3-ethoxycarbothioylsulfanylpropanoic acidPropanoic acid, 3-[(ethoxythioxomethyl)thio]-
Database identifiers
- CAS
6302-95-0- PubChem CID
- 237753
- DTXSID
DTXSID90285364
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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