2,7-bis(2-methylpropyl)dibenzothiophene 5,5-dioxide

C20H24O2S — CID 138690686

IUPAC2,7-bis(2-methylpropyl)dibenzothiophene 5,5-dioxide
SMILESCC(C)Cc1ccc2c(c1)-c1ccc(CC(C)C)cc1S2(=O)=O
InChIInChI=1S/C20H24O2S/c1-13(2)9-15-6-8-19-18(11-15)17-7-5-16(10-14(3)4)12-20(17)23(19,21)22/h5-8,11-14H,9-10H2,1-4H3
InChIKeyAQFAQUBEBMAUID-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.90
Rot. Bonds4

About 2,7-bis(2-methylpropyl)dibenzothiophene 5,5-dioxide

2,7-bis(2-methylpropyl)dibenzothiophene 5,5-dioxide (PubChem CID 138690686) has the molecular formula C20H24O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is 2,7-bis(2-methylpropyl)dibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name2,7-bis(2-methylpropyl)dibenzothiophene 5,5-dioxide
PubChem CID138690686
Molecular FormulaC20H24O2S
Molecular Weight328.48 g/mol
Exact Mass328.15
IUPAC Name2,7-bis(2-methylpropyl)dibenzothiophene 5,5-dioxide
SMILESCC(C)Cc1ccc2c(c1)-c1ccc(CC(C)C)cc1S2(=O)=O
InChIInChI=1S/C20H24O2S/c1-13(2)9-15-6-8-19-18(11-15)17-7-5-16(10-14(3)4)12-20(17)23(19,21)22/h5-8,11-14H,9-10H2,1-4H3
InChIKeyAQFAQUBEBMAUID-UHFFFAOYSA-N
XLogP4.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(2-methylpropyl)dibenzothiophene 5,5-dioxide?
The IUPAC name of 2,7-bis(2-methylpropyl)dibenzothiophene 5,5-dioxide (CID 138690686) is 2,7-bis(2-methylpropyl)dibenzothiophene 5,5-dioxide.
What is the SMILES notation for 2,7-bis(2-methylpropyl)dibenzothiophene 5,5-dioxide?
The canonical SMILES for 2,7-bis(2-methylpropyl)dibenzothiophene 5,5-dioxide is CC(C)Cc1ccc2c(c1)-c1ccc(CC(C)C)cc1S2(=O)=O.
What is the InChIKey of 2,7-bis(2-methylpropyl)dibenzothiophene 5,5-dioxide?
The InChIKey is AQFAQUBEBMAUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2S/c1-13(2)9-15-6-8-19-18(11-15)17-7-5-16(10-14(3)4)12-20(17)23(19,21)22/h5-8,11-14H,9-10H2,1-4H3.
What are the key properties of 2,7-bis(2-methylpropyl)dibenzothiophene 5,5-dioxide?
2,7-bis(2-methylpropyl)dibenzothiophene 5,5-dioxide has a molecular weight of 328.48 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(2-methylpropyl)dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 138690686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).