9-[2-(6-sulfanylidene-3H-purin-9-yl)ethyl]-3H-purine-6-thione
Basic information
- CAS
91368-19-3- Standard SMILES
S=c1nc[nH]c2c1ncn2CCn1cnc2c(=S)nc[nH]c21- InChIKey
ZJPFFLJVRUAKDT-UHFFFAOYSA-N- Molecular formula
- C12H10N8S2
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.0469847
Names & identifiers
- Preferred name
- 9-[2-(6-sulfanylidene-3H-purin-9-yl)ethyl]-3H-purine-6-thione
- IUPAC
- 9-[2-(6-sulfanylidene-3H-purin-9-yl)ethyl]-3H-purine-6-thione
Names & synonyms
91368-19-39-[2-(6-sulfanylidene-3H-purin-9-yl)ethyl]-3H-purine-6-thione9,9'-(1,2-ethanediyl)bis(1,9-dihydro-6H-purine-6-thione)NSC98757DTXSID90394506NSC-987579,9'-(Ethane-1,2-diyl)di(3,9-dihydro-6H-purine-6-thione)
Database identifiers
- CAS
91368-19-3- PubChem CID
- 3633451
- DTXSID
DTXSID90394506
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 501
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Compound notes
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