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219860-19-2 | 4-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 219860-19-2 Catalog No: AG00IYCO MDL No:MFCD00171871
Product Description
Catalog Number:
AG00IYCO
Chemical Name:
4-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
219860-19-2
Molecular Formula:
C14H14N4S2
Molecular Weight:
302.4178
MDL Number:
MFCD00171871
IUPAC Name:
4-ethyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C14H14N4S2/c1-3-18-12(16-17-14(18)19)11-9(2)15-13(20-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,17,19)
InChI Key:
XXTIQGMPSNYHNT-UHFFFAOYSA-N
SMILES:
CCn1c(S)nnc1c1sc(nc1C)c1ccccc1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.066g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.414g/mol
Monoisotopic Mass:
302.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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