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29388-97-4 | 4-cyano-N-(4-methylbenzenesulfonyl)-5-(methylsulfanyl)-3-oxo-2,3-dihydro-1,2-thiazole-2-carboxamide
CAS No: 29388-97-4 Catalog No: AG00IXX6 MDL No:MFCD00172843
Product Description
Catalog Number:
AG00IXX6
Chemical Name:
4-cyano-N-(4-methylbenzenesulfonyl)-5-(methylsulfanyl)-3-oxo-2,3-dihydro-1,2-thiazole-2-carboxamide
CAS Number:
29388-97-4
Molecular Formula:
C13H11N3O4S3
Molecular Weight:
369.4391
MDL Number:
MFCD00172843
IUPAC Name:
4-cyano-N-(4-methylphenyl)sulfonyl-5-methylsulfanyl-3-oxo-1,2-thiazole-2-carboxamide
InChI:
InChI=1S/C13H11N3O4S3/c1-8-3-5-9(6-4-8)23(19,20)15-13(18)16-11(17)10(7-14)12(21-2)22-16/h3-6H,1-2H3,(H,15,18)
InChI Key:
RWNAADSQONFIGM-UHFFFAOYSA-N
SMILES:
CSc1sn(c(=O)c1C#N)C(=O)NS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
694
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.991g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.428g/mol
Monoisotopic Mass:
368.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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