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Home > Imidazoles > 1016819-67-2
1016819-67-2 | 2-(1H-imidazol-1-yl)pyridine-4-carbothioamide
CAS No: 1016819-67-2 Catalog No: AG019ROC MDL No:MFCD09945502
Product Description
Catalog Number:
AG019ROC
Chemical Name:
2-(1H-imidazol-1-yl)pyridine-4-carbothioamide
CAS Number:
1016819-67-2
Molecular Formula:
C9H8N4S
Molecular Weight:
204.2516
MDL Number:
MFCD09945502
IUPAC Name:
2-imidazol-1-ylpyridine-4-carbothioamide
InChI:
InChI=1S/C9H8N4S/c10-9(14)7-1-2-12-8(5-7)13-4-3-11-6-13/h1-6H,(H2,10,14)
InChI Key:
ZDTXNAUXXHKSMO-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccnc(c1)n1cncc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.251g/mol
Monoisotopic Mass:
204.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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