[(2-amino-9H-purin-6-yl)sulfanyl]acetic acid
Basic information
- CAS
5599-15-5- Standard SMILES
Nc1nc(SCC(=O)O)c2[nH]cnc2n1- InChIKey
BIJHYHDZEKTJSJ-UHFFFAOYSA-N- Molecular formula
- C7H7N5O2S
- Average molar mass
- 225.23 g/mol
- Monoisotopic mass
- 225.03204566
Names & identifiers
- Preferred name
- [(2-amino-9H-purin-6-yl)sulfanyl]acetic acid
- IUPAC
- 2-[(2-amino-7H-purin-6-yl)sulfanyl]acetic acid
Names & synonyms
5599-15-5[(2-amino-9H-purin-6-yl)sulfanyl]acetic acidSCHEMBL887207CHEMBL1878222DTXSID40971381NSC39326NSC-39326STL287935AKOS022135592NCGC00161965-012-((2-amino-9H-purin-6-yl)thio)acetic acid[(2-Imino-3,9-dihydro-2H-purin-6-yl)sulfanyl]acetic acid
Database identifiers
- CAS
5599-15-5- PubChem CID
- 3828720
- DTXSID
DTXSID40971381- ChEMBL
CHEMBL1878222
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…