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23018-38-4 | [1]Benzothieno[2,3-g]isoquinoline, 5,11-dimethyl-, 6,6-dioxide
CAS No: 23018-38-4 Catalog No: AG002LVI MDL No:
Product Description
Catalog Number:
AG002LVI
Chemical Name:
[1]Benzothieno[2,3-g]isoquinoline, 5,11-dimethyl-, 6,6-dioxide
CAS Number:
23018-38-4
Molecular Formula:
C17H13NO2S
Molecular Weight:
295.3556
IUPAC Name:
5,11-dimethyl-[1]benzothiolo[2,3-g]isoquinoline 6,6-dioxide
InChI:
InChI=1S/C17H13NO2S/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)21(17,19)20/h3-9H,1-2H3
InChI Key:
ZXFXICSWANUESF-UHFFFAOYSA-N
SMILES:
Cc1c2cnccc2c(c2c1c1ccccc1S2(=O)=O)C
NSC Number:
125631
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.356g/mol
Monoisotopic Mass:
295.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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