Basic information
- CAS
93515-29-8- Standard SMILES
Cc1ccc(C=C(S)C(=O)O)cc1- InChIKey
HHJHEOPZAVVWPK-UHFFFAOYSA-N- Molecular formula
- C10H10O2S
- Average molar mass
- 194.25 g/mol
- Monoisotopic mass
- 194.04015073
Names & identifiers
- Preferred name
- 3-(4-Methylphenyl)-2-sulfanylprop-2-enoic acid
- IUPAC
- 3-(4-methylphenyl)-2-sulfanylprop-2-enoic acid
Names & synonyms
3-(4-methylphenyl)-2-sulfanylprop-2-enoic acid93515-29-8SCHEMBL2249416DTXSID60274442
Database identifiers
- CAS
93515-29-8- PubChem CID
- 4703
- DTXSID
DTXSID60274442
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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