1,2,3,4,4a,9b-hexahydrodibenzothiophene 5,5-dioxide

C12H14O2S — CID 11838910

IUPAC1,2,3,4,4a,9b-hexahydrodibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2C2CCCCC21
InChIInChI=1S/C12H14O2S/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1,3,5,7,10,12H,2,4,6,8H2
InChIKeyNEXRZFLFNZXDFG-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.50
Rot. Bonds

About 1,2,3,4,4a,9b-hexahydrodibenzothiophene 5,5-dioxide

1,2,3,4,4a,9b-hexahydrodibenzothiophene 5,5-dioxide (PubChem CID 11838910) has the molecular formula C12H14O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 1,2,3,4,4a,9b-hexahydrodibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name1,2,3,4,4a,9b-hexahydrodibenzothiophene 5,5-dioxide
PubChem CID11838910
Molecular FormulaC12H14O2S
Molecular Weight222.31 g/mol
Exact Mass222.07
IUPAC Name1,2,3,4,4a,9b-hexahydrodibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2C2CCCCC21
InChIInChI=1S/C12H14O2S/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1,3,5,7,10,12H,2,4,6,8H2
InChIKeyNEXRZFLFNZXDFG-UHFFFAOYSA-N
XLogP2.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
Benzothiophene 1,1-dioxide
CID 69997
Phenyl trans-Styryl Sulfone
CID 736143
Dibenzothiophene sulfoxide
CID 13898
Dibenzothiophene sulfone
CID 13908
((3-Phenylpropyl)sulfonyl)benzene
CID 97180
Benzo(b)thiophene 1,1-dioxide, 3-methyl-
CID 138741
2,3-Dihydro-1lambda6-benzothiophene-1,1-dione
CID 284423
3-Phenyl-2,3-dihydrothiophene 1,1-dioxide
CID 282950
1,3-Dihydro-2lambda6-benzothiophene-2,2-dione
CID 313675
5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate
CID 2777507
(+)-2,3-Dihydro-2-methylbenzo(B)thiophene-1,1-dioxide
CID 4252604

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,9b-hexahydrodibenzothiophene 5,5-dioxide?
The IUPAC name of 1,2,3,4,4a,9b-hexahydrodibenzothiophene 5,5-dioxide (CID 11838910) is 1,2,3,4,4a,9b-hexahydrodibenzothiophene 5,5-dioxide.
What is the SMILES notation for 1,2,3,4,4a,9b-hexahydrodibenzothiophene 5,5-dioxide?
The canonical SMILES for 1,2,3,4,4a,9b-hexahydrodibenzothiophene 5,5-dioxide is O=S1(=O)c2ccccc2C2CCCCC21.
What is the InChIKey of 1,2,3,4,4a,9b-hexahydrodibenzothiophene 5,5-dioxide?
The InChIKey is NEXRZFLFNZXDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2S/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1,3,5,7,10,12H,2,4,6,8H2.
What are the key properties of 1,2,3,4,4a,9b-hexahydrodibenzothiophene 5,5-dioxide?
1,2,3,4,4a,9b-hexahydrodibenzothiophene 5,5-dioxide has a molecular weight of 222.31 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,9b-hexahydrodibenzothiophene 5,5-dioxide is sourced from PubChem (CID 11838910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).