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149488-61-9 | 1H-Imidazole-1-carbothioamide, N-(5-chloro-2-pyridinyl)-
CAS No: 149488-61-9 Catalog No: AG001LR0 MDL No:
Product Description
Catalog Number:
AG001LR0
Chemical Name:
1H-Imidazole-1-carbothioamide, N-(5-chloro-2-pyridinyl)-
CAS Number:
149488-61-9
Molecular Formula:
C9H7ClN4S
Molecular Weight:
238.6967
IUPAC Name:
N-(5-chloropyridin-2-yl)imidazole-1-carbothioamide
InChI:
InChI=1S/C9H7ClN4S/c10-7-1-2-8(12-5-7)13-9(15)14-4-3-11-6-14/h1-6H,(H,12,13,15)
InChI Key:
OGDRZPSYWGBDSF-UHFFFAOYSA-N
SMILES:
Clc1ccc(nc1)NC(=S)n1cncc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.008g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.693g/mol
Monoisotopic Mass:
238.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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