2,8-di(propan-2-yl)dibenzothiophene 5,5-dioxide

C18H20O2S — CID 121289541

IUPAC2,8-di(propan-2-yl)dibenzothiophene 5,5-dioxide
SMILESCC(C)c1ccc2c(c1)-c1cc(C(C)C)ccc1S2(=O)=O
InChIInChI=1S/C18H20O2S/c1-11(2)13-5-7-17-15(9-13)16-10-14(12(3)4)6-8-18(16)21(17,19)20/h5-12H,1-4H3
InChIKeyCYVNUBMOEVRSEZ-UHFFFAOYSA-N
MW300.42 g/mol
LogP4.75
Rot. Bonds2

About 2,8-di(propan-2-yl)dibenzothiophene 5,5-dioxide

2,8-di(propan-2-yl)dibenzothiophene 5,5-dioxide (PubChem CID 121289541) has the molecular formula C18H20O2S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2,8-di(propan-2-yl)dibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name2,8-di(propan-2-yl)dibenzothiophene 5,5-dioxide
PubChem CID121289541
Molecular FormulaC18H20O2S
Molecular Weight300.42 g/mol
Exact Mass300.12
IUPAC Name2,8-di(propan-2-yl)dibenzothiophene 5,5-dioxide
SMILESCC(C)c1ccc2c(c1)-c1cc(C(C)C)ccc1S2(=O)=O
InChIInChI=1S/C18H20O2S/c1-11(2)13-5-7-17-15(9-13)16-10-14(12(3)4)6-8-18(16)21(17,19)20/h5-12H,1-4H3
InChIKeyCYVNUBMOEVRSEZ-UHFFFAOYSA-N
XLogP4.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-di(propan-2-yl)dibenzothiophene 5,5-dioxide?
The IUPAC name of 2,8-di(propan-2-yl)dibenzothiophene 5,5-dioxide (CID 121289541) is 2,8-di(propan-2-yl)dibenzothiophene 5,5-dioxide.
What is the SMILES notation for 2,8-di(propan-2-yl)dibenzothiophene 5,5-dioxide?
The canonical SMILES for 2,8-di(propan-2-yl)dibenzothiophene 5,5-dioxide is CC(C)c1ccc2c(c1)-c1cc(C(C)C)ccc1S2(=O)=O.
What is the InChIKey of 2,8-di(propan-2-yl)dibenzothiophene 5,5-dioxide?
The InChIKey is CYVNUBMOEVRSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2S/c1-11(2)13-5-7-17-15(9-13)16-10-14(12(3)4)6-8-18(16)21(17,19)20/h5-12H,1-4H3.
What are the key properties of 2,8-di(propan-2-yl)dibenzothiophene 5,5-dioxide?
2,8-di(propan-2-yl)dibenzothiophene 5,5-dioxide has a molecular weight of 300.42 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-di(propan-2-yl)dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 121289541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).