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338759-55-0 | 4-ethyl-5-(2-phenyl-1,3-thiazol-4-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 338759-55-0 Catalog No: AG00IYCN MDL No:MFCD00171870
Product Description
Catalog Number:
AG00IYCN
Chemical Name:
4-ethyl-5-(2-phenyl-1,3-thiazol-4-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
338759-55-0
Molecular Formula:
C13H12N4S2
Molecular Weight:
288.3912
MDL Number:
MFCD00171870
IUPAC Name:
4-ethyl-3-(2-phenyl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C13H12N4S2/c1-2-17-11(15-16-13(17)18)10-8-19-12(14-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,16,18)
InChI Key:
RQBHRLQPLCNELN-UHFFFAOYSA-N
SMILES:
CCn1c(S)nnc1c1csc(n1)c1ccccc1
Properties
Complexity:
379
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:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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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