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13136-33-9 | 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-2,4-diphenyl-
CAS No: 13136-33-9 Catalog No: AG000W06 MDL No:
Product Description
Catalog Number:
AG000W06
Chemical Name:
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-2,4-diphenyl-
CAS Number:
13136-33-9
Molecular Formula:
C15H13N3S
Molecular Weight:
267.3488
IUPAC Name:
5-methyl-2,4-diphenyl-1,2,4-triazole-3-thione
InChI:
InChI=1S/C15H13N3S/c1-12-16-18(14-10-6-3-7-11-14)15(19)17(12)13-8-4-2-5-9-13/h2-11H,1H3
InChI Key:
YFJOVPCPKPSCCE-UHFFFAOYSA-N
SMILES:
Cc1nn(c(=S)n1c1ccccc1)c1ccccc1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.35g/mol
Monoisotopic Mass:
267.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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