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23436-75-1 | [1]Benzothieno[3,2-g]isoquinoline, 11-methyl-
CAS No: 23436-75-1 Catalog No: AG002N8O MDL No:
Product Description
Catalog Number:
AG002N8O
Chemical Name:
[1]Benzothieno[3,2-g]isoquinoline, 11-methyl-
CAS Number:
23436-75-1
Molecular Formula:
C16H11NS
Molecular Weight:
249.3302
IUPAC Name:
11-methyl-[1]benzothiolo[3,2-g]isoquinoline
InChI:
InChI=1S/C16H11NS/c1-10-14-9-17-7-6-11(14)8-13-12-4-2-3-5-15(12)18-16(10)13/h2-9H,1H3
InChI Key:
WCHKFCJHZPOZPD-UHFFFAOYSA-N
SMILES:
Cc1c2cnccc2cc2c1sc1c2cccc1
NSC Number:
126318
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.331g/mol
Monoisotopic Mass:
249.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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