Basic information
- CAS
13330-93-3- Standard SMILES
O=C(O)CSC(C(=O)O)c1ccccc1- InChIKey
AIUNWFBYULOSRS-UHFFFAOYSA-N- Molecular formula
- C10H10O4S
- Average molar mass
- 226.25 g/mol
- Monoisotopic mass
- 226.02997997
Names & identifiers
- Preferred name
- 2-(Carboxymethylsulfanyl)-2-phenylacetic acid
- IUPAC
- 2-(carboxymethylsulfanyl)-2-phenylacetic acid
- English name
- 2-(carboxymethylsulfanyl)-2-phenyl-acetic acid
- Molecular formula
- C10H10O4S
- Molecular weight
- 226.25
Names & synonyms
13330-93-32-(carboxymethylsulfanyl)-2-phenylacetic acid2-(CARBOXYMETHYLSULFANYL)-2-PHENYL-ACETIC ACID[(carboxymethyl)sulfanyl](phenyl)acetic acidBenzeneaceticacid, a-[(carboxymethyl)thio]-NSC109959DTXSID402965813-Thiapentanedioic acid, 2-phenyl-NSC-109959DS-010087Benzeneacetic acid, α-[(carboxymethyl)thio]-
Database identifiers
- CAS
13330-93-3- PubChem CID
- 269299
- DTXSID
DTXSID40296581
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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