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87740-56-5 | 2-Propenamide, 2-cyano-3-(ethylthio)-3-mercapto-N-methyl-
CAS No: 87740-56-5 Catalog No: AG004IOI MDL No:
Product Description
Catalog Number:
AG004IOI
Chemical Name:
2-Propenamide, 2-cyano-3-(ethylthio)-3-mercapto-N-methyl-
CAS Number:
87740-56-5
Molecular Formula:
C7H10N2OS2
Molecular Weight:
202.2971
IUPAC Name:
2-cyano-3-ethylsulfanyl-N-methyl-3-sulfanylprop-2-enamide
InChI:
InChI=1S/C7H10N2OS2/c1-3-12-7(11)5(4-8)6(10)9-2/h11H,3H2,1-2H3,(H,9,10)
InChI Key:
STKNFLFHDYVYMP-UHFFFAOYSA-N
SMILES:
CCSC(=C(C(=O)NC)C#N)S
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.023g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.29g/mol
Monoisotopic Mass:
202.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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