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93440-31-4

93440-31-4 | 2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)-

CAS No: 93440-31-4 Catalog No: AG006FXN MDL No:

Product Description

Catalog Number:
AG006FXN
Chemical Name:
2-Propenethioamide, 2-cyano-3-(4-nitrophenyl)-
CAS Number:
93440-31-4
Molecular Formula:
C10H7N3O2S
Molecular Weight:
233.2465
IUPAC Name:
2-cyano-3-(4-nitrophenyl)prop-2-enethioamide
InChI:
InChI=1S/C10H7N3O2S/c11-6-8(10(12)16)5-7-1-3-9(4-2-7)13(14)15/h1-5H,(H2,12,16)
InChI Key:
ZJUPLUDEWMWRRF-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(cc1)[N+](=O)[O-])C(=S)N

Properties

Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.026g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.245g/mol
Monoisotopic Mass:
233.026g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.6  

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