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22989-67-9 | 2(1H)-Pyridinethione, 3-hydroxy-6-methyl-
CAS No: 22989-67-9 Catalog No: AG002LS3 MDL No:
Product Description
Catalog Number:
AG002LS3
Chemical Name:
2(1H)-Pyridinethione, 3-hydroxy-6-methyl-
CAS Number:
22989-67-9
Molecular Formula:
C6H7NOS
Molecular Weight:
141.1909
IUPAC Name:
3-hydroxy-6-methyl-1H-pyridine-2-thione
InChI:
InChI=1S/C6H7NOS/c1-4-2-3-5(8)6(9)7-4/h2-3,8H,1H3,(H,7,9)
InChI Key:
KWMLIEDLOLUHHQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(=S)[nH]1)O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
141.188g/mol
Monoisotopic Mass:
141.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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