Basic information
- CAS
333423-02-2- Standard SMILES
CC(C)C1NC(=O)c2c(sc3c2CCCC3)N1- InChIKey
BBSVXACTYPUPDD-UHFFFAOYSA-N- Molecular formula
- C13H18N2OS
- Average molar mass
- 250.36 g/mol
Names & identifiers
- Preferred name
- 2-isopropyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
- IUPAC
- 2-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
- English name
- 2-isopropyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
- Molecular formula
- C13H18N2OS
- Molecular weight
- 250.35982
Names & synonyms
2-isopropyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-oneOprea1_283514Oprea1_700128SCHEMBL23873642HMS1679C20AKOS0007127452-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-oneST089560AG-690/407003112-(methylethyl)-1,2,3,5,6,7,8-heptahydrobenzo[b]thiopheno[2,3-d]pyrimidin-4-on e
Database identifiers
- CAS
333423-02-2
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 321
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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