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50461-50-2 | 4-(thiophen-2-yl)-1,2,3,6-tetrahydropyridine
CAS No: 50461-50-2 Catalog No: AG00KNBI MDL No:MFCD08689281
Product Description
Catalog Number:
AG00KNBI
Chemical Name:
4-(thiophen-2-yl)-1,2,3,6-tetrahydropyridine
CAS Number:
50461-50-2
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
MDL Number:
MFCD08689281
IUPAC Name:
4-thiophen-2-yl-1,2,3,6-tetrahydropyridine
InChI:
InChI=1S/C9H11NS/c1-2-9(11-7-1)8-3-5-10-6-4-8/h1-3,7,10H,4-6H2
InChI Key:
OSTAYIPXDDGKDP-UHFFFAOYSA-N
SMILES:
N1CCC(=CC1)c1cccs1
Properties
Complexity:
165
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:
1
Isotope Atom Count:
0
Molecular Weight:
165.254g/mol
Monoisotopic Mass:
165.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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