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23985-83-3 | [1]Benzothieno[3,2-h]isoquinoline(8CI,9CI)
CAS No: 23985-83-3 Catalog No: AG007OCJ MDL No:
Product Description
Catalog Number:
AG007OCJ
Chemical Name:
[1]Benzothieno[3,2-h]isoquinoline(8CI,9CI)
CAS Number:
23985-83-3
Molecular Formula:
C15H9NS
Molecular Weight:
235.3037
IUPAC Name:
[1]benzothiolo[3,2-h]isoquinoline
InChI:
InChI=1S/C15H9NS/c1-2-4-14-11(3-1)12-6-5-10-7-8-16-9-13(10)15(12)17-14/h1-9H
InChI Key:
DLIRCADEYLIGEJ-UHFFFAOYSA-N
SMILES:
n1ccc2c(c1)c1sc3c(c1cc2)cccc3
NSC Number:
128877
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.304g/mol
Monoisotopic Mass:
235.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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