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N-methyl-4-(trichloromethyl)-6-(2,4,5-trichlorophenyl)sulfanyl-1,3,5-triazin-2-amine

HCID 35279
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Basic information

CAS
30369-63-2
Standard SMILES
CNc1nc(Sc2cc(Cl)c(Cl)cc2Cl)nc(C(Cl)(Cl)Cl)n1
InChIKey
QIRKVUGCQPNVCA-UHFFFAOYSA-N
Molecular formula
C11H6Cl6N4S
Average molar mass
439 g/mol
Monoisotopic mass
435.844434

Names & identifiers

Preferred name
N-methyl-4-(trichloromethyl)-6-(2,4,5-trichlorophenyl)sulfanyl-1,3,5-triazin-2-amine
IUPAC
N-methyl-4-(trichloromethyl)-6-(2,4,5-trichlorophenyl)sulfanyl-1,3,5-triazin-2-amine

Names & synonyms

30369-63-2N-methyl-4-(trichloromethyl)-6-(2,4,5-trichlorophenyl)sulfanyl-1,3,5-triazin-2-amineDTXSID90275280N-methyl-4-(trichloromethyl)-6-[(2,4,5-trichlorophenyl)sulfanyl]-1,3,5-triazin-2-amine

Database identifiers

CAS
30369-63-2
PubChem CID
35279
DTXSID
DTXSID90275280
Nikkaji
J1.614.252B

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
76 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
22
Formal charge
0
Complexity
373

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