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17119-18-5 | 4-(4-Chlorophenyl)-5-methyl-4H-1,2,4-triazole-3-thiol
CAS No: 17119-18-5 Catalog No: AG01F8BN MDL No:
Product Description
Catalog Number:
AG01F8BN
Chemical Name:
4-(4-Chlorophenyl)-5-methyl-4H-1,2,4-triazole-3-thiol
CAS Number:
17119-18-5
Molecular Formula:
C9H8ClN3S
Molecular Weight:
225.6979
IUPAC Name:
4-(4-chlorophenyl)-3-methyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C9H8ClN3S/c1-6-11-12-9(14)13(6)8-4-2-7(10)3-5-8/h2-5H,1H3,(H,12,14)
InChI Key:
OWLOUYHMVYBXQJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1c(C)nnc1S
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.013g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.694g/mol
Monoisotopic Mass:
225.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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