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82081-32-1 | Pyridine, 3-(tetrahydro-2-thienyl)-
CAS No: 82081-32-1 Catalog No: AG004X48 MDL No:MFCD18838756
Product Description
Catalog Number:
AG004X48
Chemical Name:
Pyridine, 3-(tetrahydro-2-thienyl)-
CAS Number:
82081-32-1
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
MDL Number:
MFCD18838756
IUPAC Name:
3-(thiolan-2-yl)pyridine
InChI:
InChI=1S/C9H11NS/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9H,2,4,6H2
InChI Key:
UNDZTSGXNXEERW-UHFFFAOYSA-N
SMILES:
C1CSC(C1)c1cccnc1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.061g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.254g/mol
Monoisotopic Mass:
165.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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