Basic information
- CAS
58045-26-4- Standard SMILES
CC(C)c1nsc2c1C(=O)NC(C(C)(C)C)N2- InChIKey
VIRHBOCOABUCDD-UHFFFAOYSA-N- Molecular formula
- C12H19N3OS
- Average molar mass
- 253.37 g/mol
- Monoisotopic mass
- 253.12488341
Names & identifiers
- Preferred name
- 6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one
- IUPAC
- 6-tert-butyl-3-propan-2-yl-6,7-dihydro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
Names & synonyms
58045-26-4NSC287101F243464K8UNSC 287101UNII-F243464K8UNSC-2871016-(tert-Butyl)-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one6-tert-Butyl-3-isopropyl-4,5,6,7-tetrahydroisothiazolo(5,4-d)pyrimidin-4-one6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo(5,4-d)pyrimidin-4(5H)-one6-tert-butyl-3-isopropyl-6,7-dihydro-5H-isothiazolo[5,4-d]pyrimidin-4-oneISOTHIAZOLO(5,4-D)PYRIMIDIN-4(5H)-ONE, 6-(1,1-DIMETHYLETHYL)-6,7-DIHYDRO-3-(1-METHYLETHYL)-
Database identifiers
- CAS
58045-26-4- PubChem CID
- 323919
- UNII
- F243464K8U
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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