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89544-23-0 | Pyridine, 3-(tetrahydro-1-oxido-2-thienyl)-
CAS No: 89544-23-0 Catalog No: AG0040H1 MDL No:
Product Description
Catalog Number:
AG0040H1
Chemical Name:
Pyridine, 3-(tetrahydro-1-oxido-2-thienyl)-
CAS Number:
89544-23-0
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
IUPAC Name:
2-pyridin-3-ylthiolane 1-oxide
InChI:
InChI=1S/C9H11NOS/c11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2
InChI Key:
YAXSVXNEQFGXSE-UHFFFAOYSA-N
SMILES:
O=S1CCCC1c1cccnc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.253g/mol
Monoisotopic Mass:
181.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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