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88735-89-1 | Benzamide, N-[2,2-dicyano-1-(methylthio)ethenyl]-4-methyl-
CAS No: 88735-89-1 Catalog No: AG004478 MDL No:
Product Description
Catalog Number:
AG004478
Chemical Name:
Benzamide, N-[2,2-dicyano-1-(methylthio)ethenyl]-4-methyl-
CAS Number:
88735-89-1
Molecular Formula:
C13H11N3OS
Molecular Weight:
257.3109
IUPAC Name:
N-(2,2-dicyano-1-methylsulfanylethenyl)-4-methylbenzamide
InChI:
InChI=1S/C13H11N3OS/c1-9-3-5-10(6-4-9)12(17)16-13(18-2)11(7-14)8-15/h3-6H,1-2H3,(H,16,17)
InChI Key:
ZOPDTITXZFWXTP-UHFFFAOYSA-N
SMILES:
CSC(=C(C#N)C#N)NC(=O)c1ccc(cc1)C
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.311g/mol
Monoisotopic Mass:
257.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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