Basic information
- CAS
13735-02-9- Standard SMILES
CSc1ccc(SCCC(=O)O)cc1- InChIKey
LROOBFDHMUVFBY-UHFFFAOYSA-N- Molecular formula
- C10H12O2S2
- Average molar mass
- 228.3 g/mol
- Monoisotopic mass
- 228.02787197
Names & identifiers
- Preferred name
- Propanoic acid, 3-[[4-(methylthio)phenyl]thio]-
- IUPAC
- 3-(4-methylsulfanylphenyl)sulfanylpropanoic acid
Names & synonyms
13735-02-9Propanoic acid, 3-[[4-(methylthio)phenyl]thio]-DTXSID804637553-{[4-(METHYLSULFANYL)PHENYL]SULFANYL}PROPANOIC ACID
Database identifiers
- CAS
13735-02-9- PubChem CID
- 11368176
- DTXSID
DTXSID80463755
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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