Home Nitriles 3-(piperazin-1-yl)thiophene-2-carbonitrile

3-(piperazin-1-yl)thiophene-2-carbonitrile

CAS No.:
1909320-01-9
Catalog Number:
AG01C526
Molecular Formula:
C9H11N3S
Molecular Weight:
193.2687
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Product Description
Catalog Number:
AG01C526
Chemical Name:
3-(piperazin-1-yl)thiophene-2-carbonitrile
CAS Number:
1909320-01-9
Molecular Formula:
C9H11N3S
Molecular Weight:
193.2687
MDL Number:
MFCD29907051
IUPAC Name:
3-piperazin-1-ylthiophene-2-carbonitrile
InChI:
InChI=1S/C9H11N3S/c10-7-9-8(1-6-13-9)12-4-2-11-3-5-12/h1,6,11H,2-5H2
InChI Key:
VJLJOSLVLVVDHU-UHFFFAOYSA-N
SMILES:
N#Cc1sccc1N1CCNCC1
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.067g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.268g/mol
Monoisotopic Mass:
193.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties