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114058-92-3 | 3H-1,2,4-Triazole-3-thione, 5-(4-chlorophenyl)-2-ethyl-2,4-dihydro-4-methyl-
CAS No: 114058-92-3 Catalog No: AG000AGE MDL No:
Product Description
Catalog Number:
AG000AGE
Chemical Name:
3H-1,2,4-Triazole-3-thione, 5-(4-chlorophenyl)-2-ethyl-2,4-dihydro-4-methyl-
CAS Number:
114058-92-3
Molecular Formula:
C11H12ClN3S
Molecular Weight:
253.7511
IUPAC Name:
5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazole-3-thione
InChI:
InChI=1S/C11H12ClN3S/c1-3-15-11(16)14(2)10(13-15)8-4-6-9(12)7-5-8/h4-7H,3H2,1-2H3
InChI Key:
HAPBZVDUNLZWPE-UHFFFAOYSA-N
SMILES:
CCn1nc(n(c1=S)C)c1ccc(cc1)Cl
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.748g/mol
Monoisotopic Mass:
253.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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