Methyl thionohippurate
Basic information
- CAS
2979-56-8- Standard SMILES
Cc1ccccc1C(=O)NCC(=O)S- InChIKey
JZMBKLDMLQKQMZ-UHFFFAOYSA-N- Molecular formula
- C10H11NO2S
- Average molar mass
- 209.27 g/mol
- Monoisotopic mass
- 209.05104977
Overview
used as substrate for papain; structure
Names & identifiers
- Preferred name
- Methyl thionohippurate
- IUPAC
- 2-[(2-methylbenzoyl)amino]ethanethioic S-acid
- English name
- methyl thionohippurate
- Molecular weight
- 0
Names & synonyms
Methyl thionohippurateNbgmteN-Benzoylglycine methylthio ester2979-56-8Ethanethioic acid, (benzoylamino)-, O-methyl esterRefChem:158038DTXSID70952229{[Hydroxy(2-methylphenyl)methylidene]amino}ethanethioic S-acid
Database identifiers
- CAS
2979-56-8- PubChem CID
- 193367
- DTXSID
DTXSID70952229
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 47.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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