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875229-19-9

875229-19-9 | 4-(pyridin-2-yl)piperazine-1-carbothioamide

CAS No: 875229-19-9 Catalog No: AG01AAGV MDL No:MFCD09803957

Product Description

Catalog Number:
AG01AAGV
Chemical Name:
4-(pyridin-2-yl)piperazine-1-carbothioamide
CAS Number:
875229-19-9
Molecular Formula:
C10H14N4S
Molecular Weight:
222.3100
MDL Number:
MFCD09803957
IUPAC Name:
4-pyridin-2-ylpiperazine-1-carbothioamide
InChI:
InChI=1S/C10H14N4S/c11-10(15)14-7-5-13(6-8-14)9-3-1-2-4-12-9/h1-4H,5-8H2,(H2,11,15)
InChI Key:
DVMYICJVOCUYDO-UHFFFAOYSA-N
SMILES:
NC(=S)N1CCN(CC1)c1ccccn1

Properties

Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.094g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.31g/mol
Monoisotopic Mass:
222.094g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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