Basic information
- CAS
19862-91-0- Standard SMILES
COc1ccc(Sc2ccccc2C(=O)O)cc1- InChIKey
ZECGBLVFSQQYIT-UHFFFAOYSA-N- Molecular formula
- C14H12O3S
- Average molar mass
- 260.31 g/mol
- Monoisotopic mass
- 260.05071541
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenylthio)benzoic acid
- IUPAC
- 2-(4-methoxyphenyl)sulfanylbenzoic acid
Names & synonyms
19862-91-02-(4-methoxyphenylthio)benzoic acidDTXSID40385000RefChem:252593DTXCID503360232-(4-methoxyphenyl)sulfanylbenzoic acidBenzoic acid, 2-[(4-methoxyphenyl)thio]-Maybridge3_004378Oprea1_7781872-[(4-METHOXYPHENYL)SULFANYL]BENZOIC ACIDSCHEMBL315581ZECGBLVFSQQYIT-UHFFFAOYSA-N
Show more names
HMS1443G22AKOS0050645212-(4-methoxyphenylsulfanyl)benzoic acidIDI1_015765A1-05320
Database identifiers
- CAS
19862-91-0- PubChem CID
- 2824878
- DTXSID
DTXSID40385000- Nikkaji
- J851.801G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 274
Related reactions
5 records
Compound notes
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