Basic information
- CAS
4658-30-4- Standard SMILES
CCC(C)Nc1nc(Cl)nc(SC)n1- InChIKey
NIPALVAJXSZZMA-UHFFFAOYSA-N- Molecular formula
- C8H13ClN4S
- Average molar mass
- 232.73 g/mol
- Monoisotopic mass
- 232.0549453
Names & identifiers
- Preferred name
- N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine
- IUPAC
- N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine
Names & synonyms
N-butan-2-yl-4-chloro-6-methylsulfanyl-1,3,5-triazin-2-amine4658-30-4DTXSID40274682N-(butan-2-yl)-4-chloro-6-(methylsulfanyl)-1,3,5-triazin-2-amine
Database identifiers
- CAS
4658-30-4- PubChem CID
- 20780
- DTXSID
DTXSID40274682
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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