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113966-67-9 | 2-Propenenitrile, 3-[(4-chlorophenyl)amino]-3-(methylthio)-
CAS No: 113966-67-9 Catalog No: AG000A7K MDL No:
Product Description
Catalog Number:
AG000A7K
Chemical Name:
2-Propenenitrile, 3-[(4-chlorophenyl)amino]-3-(methylthio)-
CAS Number:
113966-67-9
Molecular Formula:
C10H9ClN2S
Molecular Weight:
224.7099
IUPAC Name:
3-(4-chloroanilino)-3-methylsulfanylprop-2-enenitrile
InChI:
InChI=1S/C10H9ClN2S/c1-14-10(6-7-12)13-9-4-2-8(11)3-5-9/h2-6,13H,1H3
InChI Key:
ATKPMOIJEDTJOU-UHFFFAOYSA-N
SMILES:
CSC(=CC#N)Nc1ccc(cc1)Cl
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.706g/mol
Monoisotopic Mass:
224.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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