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162693-41-6 | 3H-1,2,4-Triazole-3-thione, 5-(2,4-dichlorophenyl)-2,4-dihydro-4-methyl-
CAS No: 162693-41-6 Catalog No: AG001TC5 MDL No:MFCD00662792
Product Description
Catalog Number:
AG001TC5
Chemical Name:
3H-1,2,4-Triazole-3-thione, 5-(2,4-dichlorophenyl)-2,4-dihydro-4-methyl-
CAS Number:
162693-41-6
Molecular Formula:
C9H7Cl2N3S
Molecular Weight:
260.1430
MDL Number:
MFCD00662792
IUPAC Name:
3-(2,4-dichlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C9H7Cl2N3S/c1-14-8(12-13-9(14)15)6-3-2-5(10)4-7(6)11/h2-4H,1H3,(H,13,15)
InChI Key:
KNPVHXREFIERGC-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)c1n[nH]c(=S)n1C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.136g/mol
Monoisotopic Mass:
258.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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