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Home > Pyridines > 113520-12-0
113520-12-0 | Thiourea, N-(3-hydroxy-2-pyridinyl)-N'-methyl-
CAS No: 113520-12-0 Catalog No: AG0008VS MDL No:
Product Description
Catalog Number:
AG0008VS
Chemical Name:
Thiourea, N-(3-hydroxy-2-pyridinyl)-N'-methyl-
CAS Number:
113520-12-0
Molecular Formula:
C7H9N3OS
Molecular Weight:
183.2309
IUPAC Name:
1-(3-hydroxypyridin-2-yl)-3-methylthiourea
InChI:
InChI=1S/C7H9N3OS/c1-8-7(12)10-6-5(11)3-2-4-9-6/h2-4,11H,1H3,(H2,8,9,10,12)
InChI Key:
CIYYNYSVSXHBLX-UHFFFAOYSA-N
SMILES:
CNC(=S)Nc1ncccc1O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
183.229g/mol
Monoisotopic Mass:
183.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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