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400082-03-3 | 5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 400082-03-3 Catalog No: AG00IP1C MDL No:MFCD01936276
Product Description
Catalog Number:
AG00IP1C
Chemical Name:
5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
400082-03-3
Molecular Formula:
C15H14N4S2
Molecular Weight:
314.4285
MDL Number:
MFCD01936276
IUPAC Name:
3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C15H14N4S2/c1-3-9-19-13(17-18-15(19)20)12-10(2)16-14(21-12)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3,(H,18,20)
InChI Key:
JPJBPIQJSFCZGD-UHFFFAOYSA-N
SMILES:
C=CCn1c(S)nnc1c1sc(nc1C)c1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.066g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.425g/mol
Monoisotopic Mass:
314.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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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