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343372-91-8 | 5-methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile
CAS No: 343372-91-8 Catalog No: AG00IYK8 MDL No:MFCD00974832
Product Description
Catalog Number:
AG00IYK8
Chemical Name:
5-methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile
CAS Number:
343372-91-8
Molecular Formula:
C14H12N2OS2
Molecular Weight:
288.3879
MDL Number:
MFCD00974832
IUPAC Name:
5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C14H12N2OS2/c1-9-3-5-11(6-4-9)13(17)8-18-14-12(7-15)10(2)19-16-14/h3-6H,8H2,1-2H3
InChI Key:
PVJRTNMYYNTHKA-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)c2ccc(cc2)C)nsc1C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.039g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.383g/mol
Monoisotopic Mass:
288.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^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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