2-(Phenylsulfanylcarbonylamino)acetic acid
Basic information
- CAS
21639-45-2- Standard SMILES
O=C(O)CNC(=O)Sc1ccccc1- InChIKey
WVGDORVARCNSED-UHFFFAOYSA-N- Molecular formula
- C9H9NO3S
- Average molar mass
- 211.24 g/mol
- Monoisotopic mass
- 211.03031432
Names & identifiers
- Preferred name
- 2-(Phenylsulfanylcarbonylamino)acetic acid
- IUPAC
- 2-(phenylsulfanylcarbonylamino)acetic acid
- English name
- 2-(phenylsulfanylcarbonylamino)acetic acid
- Molecular formula
- C9H9NO3S
- Molecular weight
- 211.24
Names & synonyms
2-(phenylsulfanylcarbonylamino)acetic acid21639-45-2n-[(phenylsulfanyl)carbonyl]glycineNSC45693DTXSID50286418NSC-456932-(phenylsulfanylcarbonylamino)-acetic acidGlycine, N-[(phenylthio)carbonyl]-
Database identifiers
- CAS
21639-45-2- PubChem CID
- 239907
- DTXSID
DTXSID50286418
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
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Compound notes
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