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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Related Compounds

1,1-dioxo-7-propan-2-yl-3,4-dihydro-2H-1λ6-benzothiepin-5-one
CID 43155220
5-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 20649811
2,7-bis(2-methylpropyl)dibenzothiophene 5,5-dioxide
CID 138690686
5,5-dioxodibenzothiophene-2,8-diol
CID 14419775
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
3-tert-butyl-6-propan-2-yl-1,2-benzothiazole 1,1-dioxide
CID 21048533
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
CID 43539410
2,7-difluoro-10-oxothioxanthen-9-one;2,7-difluorothianthrene 5,10-dioxide;2,7-difluorothianthrene 5,5,10-trioxide;10-oxo-2-propan-2-ylthioxanthen-9-one;10-oxothioxanthen-9-one;2-propan-2-ylthianthrene 5,10-dioxide;3-propan-2-ylthianthrene 5,5,10-trioxide;thianthrene 5,10-dioxide;thianthrene 5,5,10-trioxide
CID 158636118
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
[(E)-(1,1-dioxo-6-propan-2-yl-2,3-dihydrothiochromen-4-ylidene)amino]thiourea
CID 70688600
N-[2,7-di(propan-2-yl)fluoren-9-ylidene]hydroxylamine
CID 90365428

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).