Basic information
- CAS
6330-48-9- Standard SMILES
O=C(S)CNC(=O)c1ccccc1- InChIKey
DNGNKJUEEPHJFU-UHFFFAOYSA-N- Molecular formula
- C9H9NO2S
- Average molar mass
- 195.24 g/mol
- Monoisotopic mass
- 195.0353997
Names & identifiers
- Preferred name
- Thiohippuric acid
- IUPAC
- 2-benzamidoethanethioic S-acid
Names & synonyms
Thiohippuric acidHippuric acid, thio-6330-48-9Ethanethioic acid, (benzoylamino)-(Benzoylamino)ethanethioic acidHIPPURIC ACID, 1-THIO-NSC 47033IO3I802C4HNSC-47033UNII-IO3I802C4HHIPPURIC ACID, THIOL-DTXSID70212693
Show more names
2-(BENZOYLAMINO)ETHANETHIOIC ACIDETHANETHIOIC ACID, 2-(BENZOYLAMINO)-RefChem:203285DTXCID00135184Ethanethioic acid, (benzoylamino)-(9CI)Ethanethioic acid, (benzoylamino)- (9CI)Benzamidoethanethioic S-acidSCHEMBL30361354
Database identifiers
- CAS
6330-48-9- PubChem CID
- 22787
- DTXSID
DTXSID70212693- UNII
- IO3I802C4H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 47.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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