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23282-94-2 | 3H-1,2,4-Triazole-3-thione, 5-(2-chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-
CAS No: 23282-94-2 Catalog No: AG002MRJ MDL No:MFCD03656344
Product Description
Catalog Number:
AG002MRJ
Chemical Name:
3H-1,2,4-Triazole-3-thione, 5-(2-chlorophenyl)-2,4-dihydro-4-(phenylmethyl)-
CAS Number:
23282-94-2
Molecular Formula:
C15H12ClN3S
Molecular Weight:
301.7939
MDL Number:
MFCD03656344
IUPAC Name:
4-benzyl-3-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C15H12ClN3S/c16-13-9-5-4-8-12(13)14-17-18-15(20)19(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,20)
InChI Key:
KDDNIZALMTWHOV-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1n[nH]c(=S)n1Cc1ccccc1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.044g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.792g/mol
Monoisotopic Mass:
301.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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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