Home Other Building Blocks 4-(pyrimidin-2-yl)piperazine-1-carbothioamide

4-(pyrimidin-2-yl)piperazine-1-carbothioamide

CAS No.:
873395-73-4
Catalog Number:
AG01AAHZ
Molecular Formula:
C9H13N5S
Molecular Weight:
223.2980
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Product Description
Catalog Number:
AG01AAHZ
Chemical Name:
4-(pyrimidin-2-yl)piperazine-1-carbothioamide
CAS Number:
873395-73-4
Molecular Formula:
C9H13N5S
Molecular Weight:
223.2980
MDL Number:
MFCD09805395
IUPAC Name:
4-pyrimidin-2-ylpiperazine-1-carbothioamide
InChI:
InChI=1S/C9H13N5S/c10-8(15)13-4-6-14(7-5-13)9-11-2-1-3-12-9/h1-3H,4-7H2,(H2,10,15)
InChI Key:
JFQQCLFERGTRQN-UHFFFAOYSA-N
SMILES:
NC(=S)N1CCN(CC1)c1ncccn1
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.089g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.298g/mol
Monoisotopic Mass:
223.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties