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15574-96-6 | Piperidine, 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methyl-
CAS No: 15574-96-6 Catalog No: AG001O5K MDL No:MFCD00864192
Product Description
Catalog Number:
AG001O5K
Chemical Name:
Piperidine, 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methyl-
CAS Number:
15574-96-6
Molecular Formula:
C19H21NS
Molecular Weight:
295.4417
MDL Number:
MFCD00864192
IUPAC Name:
1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine
InChI:
InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3
InChI Key:
FIADGNVRKBPQEU-UHFFFAOYSA-N
SMILES:
CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1
EC Number:
239-632-9
UNII:
0BY8440V3N
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.139g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.444g/mol
Monoisotopic Mass:
295.139g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
31.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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