N-benzylsulfanylcarbonyl-glycine
Basic information
- CAS
69932-90-7- Standard SMILES
O=C(O)CNC(=O)SCc1ccccc1- InChIKey
ANDUHGSMLJPLHQ-UHFFFAOYSA-N- Molecular formula
- C10H11NO3S
- Average molar mass
- 225.27 g/mol
- Monoisotopic mass
- 225.04596439
Names & identifiers
- Preferred name
- N-benzylsulfanylcarbonyl-glycine
- IUPAC
- 2-(benzylsulfanylcarbonylamino)acetic acid
Names & synonyms
69932-90-72-(((Benzylthio)carbonyl)amino)acetic acidN-benzylsulfanylcarbonyl-glycine2-(benzylsulfanylcarbonylamino)acetic acidNSC45694{[(benzylsulfanyl)carbonyl]amino}acetic acidCHEMBL456602DTXSID50990200NSC-45694SBB0968452-[(phenylmethylthio)carbonylamino]acetic acidN-[(Benzylsulfanyl)(hydroxy)methylidene]glycine
Show more names
AN-068/11855013
Database identifiers
- CAS
69932-90-7- PubChem CID
- 239908
- DTXSID
DTXSID50990200- ChEMBL
CHEMBL456602
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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