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23018-40-8 | Dibenzothiophene, 1,2,3,4-tetrahydro-6,9-dimethyl-, 5,5-dioxide
CAS No: 23018-40-8 Catalog No: AG002LVG MDL No:
Product Description
Catalog Number:
AG002LVG
Chemical Name:
Dibenzothiophene, 1,2,3,4-tetrahydro-6,9-dimethyl-, 5,5-dioxide
CAS Number:
23018-40-8
Molecular Formula:
C14H16O2S
Molecular Weight:
248.3406
IUPAC Name:
6,9-dimethyl-1,2,3,4-tetrahydrodibenzothiophene 5,5-dioxide
InChI:
InChI=1S/C14H16O2S/c1-9-7-8-10(2)14-13(9)11-5-3-4-6-12(11)17(14,15)16/h7-8H,3-6H2,1-2H3
InChI Key:
CJERIRHEYLWZIY-UHFFFAOYSA-N
SMILES:
Cc1ccc(c2c1C1=C(S2(=O)=O)CCCC1)C
NSC Number:
118431
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.34g/mol
Monoisotopic Mass:
248.087g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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