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343375-70-2 | 5-methyl-3-[(4-methylphenyl)methanesulfonyl]-1,2-thiazole-4-carbonitrile
CAS No: 343375-70-2 Catalog No: AG00IQDQ MDL No:MFCD00138554
Product Description
Catalog Number:
AG00IQDQ
Chemical Name:
5-methyl-3-[(4-methylphenyl)methanesulfonyl]-1,2-thiazole-4-carbonitrile
CAS Number:
343375-70-2
Molecular Formula:
C13H12N2O2S2
Molecular Weight:
292.3766
MDL Number:
MFCD00138554
IUPAC Name:
5-methyl-3-[(4-methylphenyl)methylsulfonyl]-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C13H12N2O2S2/c1-9-3-5-11(6-4-9)8-19(16,17)13-12(7-14)10(2)18-15-13/h3-6H,8H2,1-2H3
InChI Key:
MLKDMLDPXRXKFT-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)snc1S(=O)(=O)Cc1ccc(cc1)C
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.034g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.371g/mol
Monoisotopic Mass:
292.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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