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337928-35-5

337928-35-5 | 3-({cyano-2-[4-(trifluoromethyl)phenyl]carbohydrazonoyl}sulfonyl)-5-methyl-4-isothiazolecarbonitrile

CAS No: 337928-35-5 Catalog No: AG01FOLJ MDL No:

Product Description

Catalog Number:
AG01FOLJ
Chemical Name:
3-({cyano-2-[4-(trifluoromethyl)phenyl]carbohydrazonoyl}sulfonyl)-5-methyl-4-isothiazolecarbonitrile
CAS Number:
337928-35-5
IUPAC Name:
1-[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfonyl]-N-[4-(trifluoromethyl)anilino]methanimidoyl cyanide
InChI:
InChI=1S/C14H8F3N5O2S2/c1-8-11(6-18)13(22-25-8)26(23,24)12(7-19)21-20-10-4-2-9(3-5-10)14(15,16)17/h2-5,20H,1H3
InChI Key:
VTHMKTWAVMZVPH-UHFFFAOYSA-N

Properties

Complexity:
751  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.007g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
399.366g/mol
Monoisotopic Mass:
399.007g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.2  

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