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Home > Pyridines > 139071-21-9
139071-21-9 | 2(1H)-Pyridinethione, 1-[(cyclopentylcarbonyl)oxy]- (9CI)
CAS No: 139071-21-9 Catalog No: AG001A5J MDL No:
Product Description
Catalog Number:
AG001A5J
Chemical Name:
2(1H)-Pyridinethione, 1-[(cyclopentylcarbonyl)oxy]- (9CI)
CAS Number:
139071-21-9
Molecular Formula:
C11H13NO2S
Molecular Weight:
223.2914
IUPAC Name:
(2-sulfanylidenepyridin-1-yl) cyclopentanecarboxylate
InChI:
InChI=1S/C11H13NO2S/c13-11(9-5-1-2-6-9)14-12-8-4-3-7-10(12)15/h3-4,7-9H,1-2,5-6H2
InChI Key:
RGWBMTCXSLRRKO-UHFFFAOYSA-N
SMILES:
O=C(C1CCCC1)On1ccccc1=S
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.29g/mol
Monoisotopic Mass:
223.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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