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89025-75-2 | 2(1H)-Pyridinethione, 1-(2-methyl-1-oxopropoxy)-
CAS No: 89025-75-2 Catalog No: AG00435S MDL No:
Product Description
Catalog Number:
AG00435S
Chemical Name:
2(1H)-Pyridinethione, 1-(2-methyl-1-oxopropoxy)-
CAS Number:
89025-75-2
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
IUPAC Name:
(2-sulfanylidenepyridin-1-yl) 2-methylpropanoate
InChI:
InChI=1S/C9H11NO2S/c1-7(2)9(11)12-10-6-4-3-5-8(10)13/h3-7H,1-2H3
InChI Key:
BOVJYAFUDMGAJN-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)On1ccccc1=S
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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