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50461-53-5 | 4-(THIOPHEN-3-YL)-1,2,3,6-TETRAHYDROPYRIDINE
CAS No: 50461-53-5 Catalog No: AG01CA3G MDL No:MFCD21125817
Product Description
Catalog Number:
AG01CA3G
Chemical Name:
4-(THIOPHEN-3-YL)-1,2,3,6-TETRAHYDROPYRIDINE
CAS Number:
50461-53-5
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
MDL Number:
MFCD21125817
IUPAC Name:
4-thiophen-3-yl-1,2,3,6-tetrahydropyridine
InChI:
InChI=1S/C9H11NS/c1-4-10-5-2-8(1)9-3-6-11-7-9/h1,3,6-7,10H,2,4-5H2
InChI Key:
PFHUXTMIRPNHQI-UHFFFAOYSA-N
SMILES:
N1CCC(=CC1)c1cscc1
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:
1.3
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