Basic information
- CAS
430471-89-9- Standard SMILES
C=C(C)CSc1nnc2n(-c3ccccc3)c(=O)c3c(C)c(C)sc3n12- InChIKey
LOZYYLHEFRJKQT-UHFFFAOYSA-N- Molecular formula
- C19H18N4OS2
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.09220356
Names & identifiers
- Preferred name
- Cambridge id 6644173
- IUPAC
- 4,5-dimethyl-12-(2-methylprop-2-enylsulfanyl)-8-phenyl-3-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one
- English name
- 2,3-dimethyl-8-[(2-methyl-2-propenyl)sulfanyl]-5-phenylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one
- Molecular formula
- C19H18N4OS2
- Molecular weight
- 382.50242
Names & synonyms
Cambridge id 6644173SCHEMBL16200751AKOS001652790WAY-322042EU-0012968ST51039841AJ-292/14559258SR-01000501890SR-01000501890-12,3-dimethyl-8-((2-methylallyl)thio)-5-phenylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one2,3-dimethyl-8-[(2-methyl-2-propenyl)sulfanyl]-5-phenylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one4,5-dimethyl-12-(2-methylprop-2-enylsulfanyl)-8-phenyl-3-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one
Show more names
430471-89-96,7-dimethyl-1-(2-methylprop-2-enylthio)-4-phenyl-4,9-dihydrothiopheno[3,2-e]1 ,2,4-triazolo[4,3-a]pyrimidin-5-one
Database identifiers
- CAS
430471-89-9- PubChem CID
- 1212336
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 568
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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