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30369-63-2 | 1,3,5-Triazin-2-amine, N-methyl-4-(trichloromethyl)-6-[(2,4,5-trichlorophenyl)thio]-
CAS No: 30369-63-2 Catalog No: AG002ZVN MDL No:
Product Description
Catalog Number:
AG002ZVN
Chemical Name:
1,3,5-Triazin-2-amine, N-methyl-4-(trichloromethyl)-6-[(2,4,5-trichlorophenyl)thio]-
CAS Number:
30369-63-2
Molecular Formula:
C11H6Cl6N4S
Molecular Weight:
438.9751
IUPAC Name:
N-methyl-4-(trichloromethyl)-6-(2,4,5-trichlorophenyl)sulfanyl-1,3,5-triazin-2-amine
InChI:
InChI=1S/C11H6Cl6N4S/c1-18-9-19-8(11(15,16)17)20-10(21-9)22-7-3-5(13)4(12)2-6(7)14/h2-3H,1H3,(H,18,19,20,21)
InChI Key:
QIRKVUGCQPNVCA-UHFFFAOYSA-N
SMILES:
CNc1nc(Sc2cc(Cl)c(cc2Cl)Cl)nc(n1)C(Cl)(Cl)Cl
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.841g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
438.957g/mol
Monoisotopic Mass:
435.844g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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