Basic information
- CAS
375830-98-1- Standard SMILES
CCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CC(C)CC4- InChIKey
ZGZDCHHOAYNSOQ-UHFFFAOYSA-N- Molecular formula
- C20H20N4OS2
- Average molar mass
- 396.5 g/mol
Names & identifiers
- Preferred name
- 1-(ethylsulfanyl)-8-methyl-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
- IUPAC
- 3-ethylsulfanyl-13-methyl-7-phenyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
- English name
- 1-(ethylsulfanyl)-8-methyl-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
- Molecular formula
- C20H20N4OS2
- Molecular weight
- 396.53
Names & synonyms
1-(ethylsulfanyl)-8-methyl-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-oneSTK722741AKOS003595753AJ-292/407066381-(ethylthio)-8-methyl-4-phenyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one[1]Benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 1-(ethylthio)-6,7,8,9-tetrahydro-8-methyl-4-phenyl-
Database identifiers
- CAS
375830-98-1
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 572
Physicochemical properties
- Boiling point
- 677 · 677.0±65.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 0.78 · 0.78±0.40(Predicted)
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…