Basic information
- CAS
667885-12-3- Standard SMILES
Cc1sc2nc(SCC#N)nc(SCC#N)c2c1C- InChIKey
WYZIMNFAVLBUMY-UHFFFAOYSA-N- Molecular formula
- C12H10N4S3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.00675986
Names & identifiers
- Preferred name
- ({2-[(Cyanomethyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetonitrile
- IUPAC
- 2-[2-(cyanomethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile
- English name
- ({2-[(cyanomethyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetonitrile
- Molecular formula
- C12H10N4S3
- Molecular weight
- 306.4296
Names & synonyms
({2-[(cyanomethyl)sulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetonitrile2-[2-(cyanomethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrileAO-476/42169412
Database identifiers
- CAS
667885-12-3- PubChem CID
- 1817292
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 412
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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