Basic information
- CAS
63798-18-5- Standard SMILES
NC(Cc1cnc[nH]1)C(=O)S- InChIKey
VSHRVZCUVVACJI-UHFFFAOYSA-N- Molecular formula
- C6H9N3OS
- Average molar mass
- 171.22 g/mol
- Monoisotopic mass
- 171.04663309
Names & identifiers
- Preferred name
- 2-amino-3-(1H-imidazol-5-yl)propanethioic S-acid
- IUPAC
- 2-amino-3-(1H-imidazol-5-yl)propanethioic S-acid
Names & synonyms
2-amino-3-(1H-imidazol-5-yl)propanethioic S-acidSCHEMBL12295169SCHEMBL28949402DTXSID10980364
Database identifiers
- CAS
63798-18-5- PubChem CID
- 44776
- DTXSID
DTXSID10980364
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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