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25121-97-5 | [1]Benzothieno[2,3-g]isoquinoline, 5-methyl-
CAS No: 25121-97-5 Catalog No: AG002QJU MDL No:
Product Description
Catalog Number:
AG002QJU
Chemical Name:
[1]Benzothieno[2,3-g]isoquinoline, 5-methyl-
CAS Number:
25121-97-5
Molecular Formula:
C16H11NS
Molecular Weight:
249.3302
IUPAC Name:
5-methyl-[1]benzothiolo[2,3-g]isoquinoline
InChI:
InChI=1S/C16H11NS/c1-10-12-6-7-17-9-11(12)8-14-13-4-2-3-5-15(13)18-16(10)14/h2-9H,1H3
InChI Key:
YBTYYXCFMWRYMK-UHFFFAOYSA-N
SMILES:
Cc1c2ccncc2cc2c1sc1c2cccc1
NSC Number:
128312
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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