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117452-24-1 | 2-Propenethioamide, 3-(2-chlorophenyl)-2-cyano-
CAS No: 117452-24-1 Catalog No: AG000EBY MDL No:
Product Description
Catalog Number:
AG000EBY
Chemical Name:
2-Propenethioamide, 3-(2-chlorophenyl)-2-cyano-
CAS Number:
117452-24-1
Molecular Formula:
C10H7ClN2S
Molecular Weight:
222.6940
IUPAC Name:
3-(2-chlorophenyl)-2-cyanoprop-2-enethioamide
InChI:
InChI=1S/C10H7ClN2S/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-5H,(H2,13,14)
InChI Key:
RARDDTIUBHMBEB-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccccc1Cl)C(=S)N
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.002g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.69g/mol
Monoisotopic Mass:
222.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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