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89025-50-3 | 2(1H)-Pyridinethione, 1-(2,2-dimethyl-1-oxopropoxy)-
CAS No: 89025-50-3 Catalog No: AG0044C4 MDL No:
Product Description
Catalog Number:
AG0044C4
Chemical Name:
2(1H)-Pyridinethione, 1-(2,2-dimethyl-1-oxopropoxy)-
CAS Number:
89025-50-3
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
IUPAC Name:
(2-sulfanylidenepyridin-1-yl) 2,2-dimethylpropanoate
InChI:
InChI=1S/C10H13NO2S/c1-10(2,3)9(12)13-11-7-5-4-6-8(11)14/h4-7H,1-3H3
InChI Key:
YZAFBRPJCHIDPH-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)On1ccccc1=S
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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