1,3-dimethyldibenzothiophene 5,5-dioxide

C14H12O2S — CID 58420751

IUPAC1,3-dimethyldibenzothiophene 5,5-dioxide
SMILESCc1cc(C)c2c(c1)S(=O)(=O)c1ccccc1-2
InChIInChI=1S/C14H12O2S/c1-9-7-10(2)14-11-5-3-4-6-12(11)17(15,16)13(14)8-9/h3-8H,1-2H3
InChIKeyKWQMXUHRJPLORN-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.12
Rot. Bonds

About 1,3-dimethyldibenzothiophene 5,5-dioxide

1,3-dimethyldibenzothiophene 5,5-dioxide (PubChem CID 58420751) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is 1,3-dimethyldibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name1,3-dimethyldibenzothiophene 5,5-dioxide
PubChem CID58420751
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Name1,3-dimethyldibenzothiophene 5,5-dioxide
SMILESCc1cc(C)c2c(c1)S(=O)(=O)c1ccccc1-2
InChIInChI=1S/C14H12O2S/c1-9-7-10(2)14-11-5-3-4-6-12(11)17(15,16)13(14)8-9/h3-8H,1-2H3
InChIKeyKWQMXUHRJPLORN-UHFFFAOYSA-N
XLogP3.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,9-dimethylnaphtho[2,1-b][1]benzothiole 7,7-dioxide
CID 59403831
carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium)
CID 158868960
3,4,5,6-tetraphenyl-14λ6-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene 14,14-dioxide
CID 12747549
ethane;2-methyl-10,10-dioxothioxanthen-9-one
CID 145125707
10,10-dioxothioxanthen-9-one;ethane
CID 142164564
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
1,3,5-trimethyl-2-(2-phosphorosophenyl)benzene
CID 68744972
6-methyl-[1]benzothiolo[2,3-b]indole 5,5-dioxide
CID 138982392
5-methyl-2-(4-methylphenyl)-6,6-dioxo-[1]benzothiolo[3,2-e]isoindole-1,3-dione
CID 19808788
12,17,29,34-tetrakis(2,4,6-trimethylphenyl)nonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 162416678
CID 68723764
CID 68723764
CID 6394929
CID 6394929

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyldibenzothiophene 5,5-dioxide?
The IUPAC name of 1,3-dimethyldibenzothiophene 5,5-dioxide (CID 58420751) is 1,3-dimethyldibenzothiophene 5,5-dioxide.
What is the SMILES notation for 1,3-dimethyldibenzothiophene 5,5-dioxide?
The canonical SMILES for 1,3-dimethyldibenzothiophene 5,5-dioxide is Cc1cc(C)c2c(c1)S(=O)(=O)c1ccccc1-2.
What is the InChIKey of 1,3-dimethyldibenzothiophene 5,5-dioxide?
The InChIKey is KWQMXUHRJPLORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c1-9-7-10(2)14-11-5-3-4-6-12(11)17(15,16)13(14)8-9/h3-8H,1-2H3.
What are the key properties of 1,3-dimethyldibenzothiophene 5,5-dioxide?
1,3-dimethyldibenzothiophene 5,5-dioxide has a molecular weight of 244.31 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyldibenzothiophene 5,5-dioxide is sourced from PubChem (CID 58420751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).