Basic information
- CAS
81613-36-7- Standard SMILES
NC(CSCc1ccccc1)P(=O)(O)O- InChIKey
DKFHOEAITNSIMX-UHFFFAOYSA-N- Molecular formula
- C9H14NO3PS
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.04320148
Names & identifiers
- Preferred name
- (1-Amino-2-benzylsulfanylethyl)phosphonic acid
- IUPAC
- (1-amino-2-benzylsulfanylethyl)phosphonic acid
Names & synonyms
NSC36704481613-36-7DTXSID90320941NSC-367044[1-Amino-2-(benzylsulfanyl)ethyl]phosphonic acid
Database identifiers
- CAS
81613-36-7- PubChem CID
- 339588
- DTXSID
DTXSID90320941
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…