2-ethylsulfonylsulfanyl-2-methylpropane

C6H14O2S2 — CID 126550407

IUPAC2-ethylsulfonylsulfanyl-2-methylpropane
SMILESCCS(=O)(=O)SC(C)(C)C
InChIInChI=1S/C6H14O2S2/c1-5-10(7,8)9-6(2,3)4/h5H2,1-4H3
InChIKeyHWDVRTIHAFTSQP-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.87
Rot. Bonds2

About 2-ethylsulfonylsulfanyl-2-methylpropane

2-ethylsulfonylsulfanyl-2-methylpropane (PubChem CID 126550407) has the molecular formula C6H14O2S2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-ethylsulfonylsulfanyl-2-methylpropane.

Molecular Properties

Compound Name2-ethylsulfonylsulfanyl-2-methylpropane
PubChem CID126550407
Molecular FormulaC6H14O2S2
Molecular Weight182.31 g/mol
Exact Mass182.04
IUPAC Name2-ethylsulfonylsulfanyl-2-methylpropane
SMILESCCS(=O)(=O)SC(C)(C)C
InChIInChI=1S/C6H14O2S2/c1-5-10(7,8)9-6(2,3)4/h5H2,1-4H3
InChIKeyHWDVRTIHAFTSQP-UHFFFAOYSA-N
XLogP1.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

1-(trifluoromethylsulfanylsulfonyl)ethane
CID 139934250
1-ethylsulfonylsulfanylpropane
CID 171772956
2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;propane
CID 160800714
N,3-dimethylpentane-3-sulfonamide
CID 148773695
2-(ethylsulfonylsulfanylmethylamino)ethanol
CID 20722632
N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide
CID 58312165
2-methyl-2-methylsulfonylbutane
CID 20813325
ethanesulfonic acid;2-methylpropane-2-sulfonic acid
CID 88898016
N-hydroxy-3-methylpentane-3-sulfonamide
CID 118182289
(tert-butylamino) ethanesulfonate
CID 87666209
N,2-dimethylpentane-2-sulfonamide
CID 173242989
ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175259089

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonylsulfanyl-2-methylpropane?
The IUPAC name of 2-ethylsulfonylsulfanyl-2-methylpropane (CID 126550407) is 2-ethylsulfonylsulfanyl-2-methylpropane.
What is the SMILES notation for 2-ethylsulfonylsulfanyl-2-methylpropane?
The canonical SMILES for 2-ethylsulfonylsulfanyl-2-methylpropane is CCS(=O)(=O)SC(C)(C)C.
What is the InChIKey of 2-ethylsulfonylsulfanyl-2-methylpropane?
The InChIKey is HWDVRTIHAFTSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S2/c1-5-10(7,8)9-6(2,3)4/h5H2,1-4H3.
What are the key properties of 2-ethylsulfonylsulfanyl-2-methylpropane?
2-ethylsulfonylsulfanyl-2-methylpropane has a molecular weight of 182.31 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonylsulfanyl-2-methylpropane is sourced from PubChem (CID 126550407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).