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1491-09-4 | Benzo[h][1]benzothieno[3,2-b]quinoline (7CI,8CI,9CI)
CAS No: 1491-09-4 Catalog No: AG001LEC MDL No:
Product Description
Catalog Number:
AG001LEC
Chemical Name:
Benzo[h][1]benzothieno[3,2-b]quinoline (7CI,8CI,9CI)
CAS Number:
1491-09-4
Molecular Formula:
C19H11NS
Molecular Weight:
285.3623
IUPAC Name:
10-thia-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
InChI:
InChI=1S/C19H11NS/c1-2-6-14-12(5-1)9-10-13-11-17-19(20-18(13)14)15-7-3-4-8-16(15)21-17/h1-11H
InChI Key:
GLEGLXQUFHLTRQ-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)ccc1c2nc2c(c1)sc1c2cccc1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.061g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.364g/mol
Monoisotopic Mass:
285.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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