9-Cyclopropyl-3,9-dihydro-6H-purine-6-thione
Basic information
- CAS
6972-30-1- Standard SMILES
S=c1nc[nH]c2c1ncn2C1CC1- InChIKey
PUEBWLUUUKPCSH-UHFFFAOYSA-N- Molecular formula
- C8H8N4S
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.04696745
Names & identifiers
- Preferred name
- 9-Cyclopropyl-3,9-dihydro-6H-purine-6-thione
- IUPAC
- 9-cyclopropyl-3H-purine-6-thione
Names & synonyms
6972-30-1NSC619629-Cyclopropyl-3,9-dihydro-6H-purine-6-thioneDTXSID00403219NSC-61962
Database identifiers
- CAS
6972-30-1- PubChem CID
- 4430484
- DTXSID
DTXSID00403219
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 273
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Compound notes
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