9-cycloheptyl-3H-purine-6-thione
Basic information
- CAS
6961-63-3- Standard SMILES
S=c1nc[nH]c2c1ncn2C1CCCCCC1- InChIKey
ISSIDZNUBJDHHL-UHFFFAOYSA-N- Molecular formula
- C12H16N4S
- Average molar mass
- 248.35 g/mol
- Monoisotopic mass
- 248.1095677
Names & identifiers
- Preferred name
- 9-cycloheptyl-3H-purine-6-thione
- IUPAC
- 9-cycloheptyl-3H-purine-6-thione
Names & synonyms
NSC627376961-63-3DTXSID00391602NSC-627379-Cycloheptyl-3,9-dihydro-6H-purine-6-thione
Database identifiers
- CAS
6961-63-3- PubChem CID
- 3339601
- DTXSID
DTXSID00391602
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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