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219860-18-1 | 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 219860-18-1 Catalog No: AG00IYCP MDL No:MFCD00171875
Product Description
Catalog Number:
AG00IYCP
Chemical Name:
4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
219860-18-1
Molecular Formula:
C13H12N4S2
Molecular Weight:
288.3912
MDL Number:
MFCD00171875
IUPAC Name:
4-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C13H12N4S2/c1-8-10(11-15-16-13(18)17(11)2)19-12(14-8)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,16,18)
InChI Key:
WGSCKEBSIIZIMG-UHFFFAOYSA-N
SMILES:
Cc1nc(sc1c1nnc(n1C)S)c1ccccc1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.05g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.387g/mol
Monoisotopic Mass:
288.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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