4-(2-Methylpropylsulfanyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
Basic information
- CAS
30369-53-0- Standard SMILES
CC(C)CSc1nc(N)nc(C(Cl)(Cl)Cl)n1- InChIKey
QFHOBFADOODAAE-UHFFFAOYSA-N- Molecular formula
- C8H11Cl3N4S
- Average molar mass
- 301.6 g/mol
- Monoisotopic mass
- 299.977001
Names & identifiers
- Preferred name
- 4-(2-Methylpropylsulfanyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
- IUPAC
- 4-(2-methylpropylsulfanyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
Names & synonyms
4-(2-methylpropylsulfanyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine30369-53-0DTXSID402752754-[(2-methylpropyl)sulfanyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine
Database identifiers
- CAS
30369-53-0- PubChem CID
- 35269
- DTXSID
DTXSID40275275- Nikkaji
- J1.614.211E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
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Compound notes
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