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Home > Pyridines > 183616-00-4
183616-00-4 | Pyridine, 2-(4,5,6,7-tetrahydro-5,5-dimethylbenzo[c]thien-1-yl)-
CAS No: 183616-00-4 Catalog No: AG0027RR MDL No:
Product Description
Catalog Number:
AG0027RR
Chemical Name:
Pyridine, 2-(4,5,6,7-tetrahydro-5,5-dimethylbenzo[c]thien-1-yl)-
CAS Number:
183616-00-4
Molecular Formula:
C15H17NS
Molecular Weight:
243.3672
IUPAC Name:
2-(5,5-dimethyl-6,7-dihydro-4H-2-benzothiophen-1-yl)pyridine
InChI:
InChI=1S/C15H17NS/c1-15(2)7-6-12-11(9-15)10-17-14(12)13-5-3-4-8-16-13/h3-5,8,10H,6-7,9H2,1-2H3
InChI Key:
AFTFAYZUQHKVEW-UHFFFAOYSA-N
SMILES:
CC1(C)CCc2c(C1)csc2c1ccccn1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.108g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.368g/mol
Monoisotopic Mass:
243.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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