Home Other Building Blocks 2-cyano-3-(thiophen-3-yl)prop-2-enamide

2-cyano-3-(thiophen-3-yl)prop-2-enamide

CAS No.:
1448583-31-0
Catalog Number:
AG01A5JC
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
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Product Description
Catalog Number:
AG01A5JC
Chemical Name:
2-cyano-3-(thiophen-3-yl)prop-2-enamide
CAS Number:
1448583-31-0
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD28132462
IUPAC Name:
2-cyano-3-thiophen-3-ylprop-2-enamide
InChI:
InChI=1S/C8H6N2OS/c9-4-7(8(10)11)3-6-1-2-12-5-6/h1-3,5H,(H2,10,11)
InChI Key:
ZXICRUZKUISQPW-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cscc1)C(=O)N
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.8  
Properties