Basic information
- CAS
445420-98-4- Standard SMILES
CCCCCCSc1nc2nc(C)cc(C)n2n1- InChIKey
PGBJAYKQLYOPEO-UHFFFAOYSA-N- Molecular formula
- C13H20N4S
- Average molar mass
- 264.39 g/mol
Names & identifiers
- Preferred name
- 2-Hexylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
- IUPAC
- 2-hexylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
- English name
- 2-(hexylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
- Molecular formula
- C13H20N4S
- Molecular weight
- 264.3897
Names & synonyms
2-(hexylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine2-hexylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidineAN-646/40796722
Database identifiers
- CAS
445420-98-4
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 251
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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