(7H-Purin-6-yl)ethanethioic S-acid
Basic information
- CAS
31463-92-0- Standard SMILES
O=C(S)Cc1ncnc2nc[nH]c12- InChIKey
RASSOTDEZCRVQL-UHFFFAOYSA-N- Molecular formula
- C7H6N4OS
- Average molar mass
- 194.22 g/mol
- Monoisotopic mass
- 194.026232
Names & identifiers
- Preferred name
- (7H-Purin-6-yl)ethanethioic S-acid
- IUPAC
- 2-(7H-purin-6-yl)ethanethioic S-acid
Names & synonyms
31463-92-0(7H-Purin-6-yl)ethanethioic S-acidDTXSID40783981
Database identifiers
- CAS
31463-92-0- PubChem CID
- 71360171
- DTXSID
DTXSID40783981
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…