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500112-74-3 | 5-(4-Methylphenyl)thiazolo[2,3-c]-1,2,4-triazole-3-thiol, 96%
CAS No: 500112-74-3 Catalog No: AG00DIRX MDL No:MFCD06254379
Product Description
Catalog Number:
AG00DIRX
Chemical Name:
5-(4-Methylphenyl)thiazolo[2,3-c]-1,2,4-triazole-3-thiol, 96%
CAS Number:
500112-74-3
Molecular Formula:
C11H9N3S2
Molecular Weight:
247.3393
MDL Number:
MFCD06254379
IUPAC Name:
5-(4-methylphenyl)-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione
InChI:
InChI=1S/C11H9N3S2/c1-7-2-4-8(5-3-7)9-6-16-11-13-12-10(15)14(9)11/h2-6H,1H3,(H,12,15)
InChI Key:
LNDYWRMGFKFDTC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1csc2n1c(=S)[nH]n2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.024g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.334g/mol
Monoisotopic Mass:
247.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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