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116850-67-0 | 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)-
CAS No: 116850-67-0 Catalog No: AG000DAK MDL No:
Product Description
Catalog Number:
AG000DAK
Chemical Name:
4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)-
CAS Number:
116850-67-0
Molecular Formula:
C10H10ClN3S
Molecular Weight:
239.7245
IUPAC Name:
3-(2-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
InChI:
InChI=1S/C10H10ClN3S/c1-14-9(12-13-10(14)15-2)7-5-3-4-6-8(7)11/h3-6H,1-2H3
InChI Key:
HIYWYLKCJFGGSX-UHFFFAOYSA-N
SMILES:
CSc1nnc(n1C)c1ccccc1Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.721g/mol
Monoisotopic Mass:
239.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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