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338760-00-2 | 4-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazole
CAS No: 338760-00-2 Catalog No: AG00IQJN MDL No:MFCD00171876
Product Description
Catalog Number:
AG00IQJN
Chemical Name:
4-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazole
CAS Number:
338760-00-2
Molecular Formula:
C16H14N4S2
Molecular Weight:
326.4392
MDL Number:
MFCD00171876
IUPAC Name:
4-methyl-5-(4-methyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole
InChI:
InChI=1S/C16H14N4S2/c1-4-10-21-16-19-18-14(20(16)3)13-11(2)17-15(22-13)12-8-6-5-7-9-12/h1,5-9H,10H2,2-3H3
InChI Key:
IJOYYGFIORIFJG-UHFFFAOYSA-N
SMILES:
C#CCSc1nnc(n1C)c1sc(nc1C)c1ccccc1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.066g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.436g/mol
Monoisotopic Mass:
326.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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