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338760-15-9 | 4-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 338760-15-9 Catalog No: AG00IYCS MDL No:MFCD00171879
Product Description
Catalog Number:
AG00IYCS
Chemical Name:
4-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
338760-15-9
Molecular Formula:
C12H10N4S2
Molecular Weight:
274.3646
MDL Number:
MFCD00171879
IUPAC Name:
4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C12H10N4S2/c1-16-10(14-15-12(16)17)9-7-18-11(13-9)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,17)
InChI Key:
HLDNHEVMBBTRPW-UHFFFAOYSA-N
SMILES:
Cn1c(S)nnc1c1csc(n1)c1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.36g/mol
Monoisotopic Mass:
274.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^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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