Home Other Building Blocks Methanone,1-piperazinyl-3-thienyl-

Methanone,1-piperazinyl-3-thienyl-

CAS No.:
59939-74-1
Catalog Number:
AG019W1B
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
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Product Description
Catalog Number:
AG019W1B
Chemical Name:
Methanone,1-piperazinyl-3-thienyl-
CAS Number:
59939-74-1
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
MDL Number:
MFCD08444712
IUPAC Name:
piperazin-1-yl(thiophen-3-yl)methanone
InChI:
InChI=1S/C9H12N2OS/c12-9(8-1-6-13-7-8)11-4-2-10-3-5-11/h1,6-7,10H,2-5H2
InChI Key:
GOTAZYHBTVLKFD-UHFFFAOYSA-N
SMILES:
O=C(c1cscc1)N1CCNCC1
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.067g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.268g/mol
Monoisotopic Mass:
196.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties