Basic information
- CAS
6974-88-5- Standard SMILES
c1nc(SC2CCCC2)c2[nH]cnc2n1- InChIKey
BHOCVNZZUJWSOU-UHFFFAOYSA-N- Molecular formula
- C10H12N4S
- Average molar mass
- 220.3 g/mol
- Monoisotopic mass
- 220.07826757
Names & identifiers
- Preferred name
- 6-(Cyclopentylthio)-7H-purine
- IUPAC
- 6-cyclopentylsulfanyl-7H-purine
Names & synonyms
7H-Purine, 6-(cyclopentylthio)-6-(Cyclopentylthio)-7H-purine6-(Cyclopentylthio)purineNSC 22024U5YWB2DP2A1H-Purine, 6-(cyclopentylthio)-AI3-50252UNII-U5YWB2DP2ANSC-22024DTXSID30220037PURINE, 6-(CYCLOPENTYLTHIO)-6-(CYCLOPENTYLTHIO)-9H-PURINE
Show more names
9H-PURINE, 6-(CYCLOPENTYLTHIO)-RefChem:199057DTXCID301425286974-88-59H-purine,6-(cyclopentylthio)-6-(cyclopentylsulfanyl)-7H-purineNSC22024DS-006187
Database identifiers
- CAS
6974-88-5- PubChem CID
- 95175
- DTXSID
DTXSID30220037- UNII
- U5YWB2DP2A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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