2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane

C17H40O3S2 — CID 161376368

IUPAC2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane
SMILESC.CC(C)(C)S(=O)(=O)C(C)(C)C.CC(C)(C)S(=O)C(C)(C)C
InChIInChI=1S/C8H18O2S.C8H18OS.CH4/c1-7(2,3)11(9,10)8(4,5)6;1-7(2,3)10(9)8(4,5)6;/h1-6H3;1-6H3;1H4
InChIKeyVRDFBOMTGNGMGI-UHFFFAOYSA-N
MW356.64 g/mol
LogP4.97
Rot. Bonds

About 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane

2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane (PubChem CID 161376368) has the molecular formula C17H40O3S2 and a molecular weight of 356.64 g/mol. Its IUPAC name is 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane.

Molecular Properties

Compound Name2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane
PubChem CID161376368
Molecular FormulaC17H40O3S2
Molecular Weight356.64 g/mol
Exact Mass356.24
IUPAC Name2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane
SMILESC.CC(C)(C)S(=O)(=O)C(C)(C)C.CC(C)(C)S(=O)C(C)(C)C
InChIInChI=1S/C8H18O2S.C8H18OS.CH4/c1-7(2,3)11(9,10)8(4,5)6;1-7(2,3)10(9)8(4,5)6;/h1-6H3;1-6H3;1H4
InChIKeyVRDFBOMTGNGMGI-UHFFFAOYSA-N
XLogP4.97
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.64
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane;methoxymethane;methylsulfanylmethane;propane
CID 161267370
2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;N,N-ditert-butylhydroxylamine
CID 165038422
2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane
CID 162046049
2-tert-butylsulfonyl-2,3,3-trimethylbutane
CID 58548756
(S)-2-methylpropane-2-sulfinyl chloride
CID 98043154
2-methylpropane-2-sulfonic acid;hydrofluoride
CID 87671931
2-[azanidylidene(sulfinato)azaniumyl]sulfonyl-2-methylpropane
CID 23124796
N,N'-ditert-butyl-2-[(Z)-[tert-butyl(oxido)azaniumylidene]methyl]-3-[(E)-[tert-butyl(oxido)azaniumylidene]methyl]-2,3-bis(tert-butylsulfonyl)butane-1,4-diimine oxide
CID 45045163
2-(2-tert-butylsulfonylethylsulfinyl)ethanamine
CID 106735658
potassium;methane;2-methylpropan-2-olate;sulfuryl dichloride
CID 173139081
(3R,4R)-4-tert-butylsulfinyl-2,4-dimethylhexan-3-ol
CID 121001666
1-tert-butylsulfonyl-2,2-dimethylpropane;2-tert-butylsulfonyl-2-methylpropane;2,2,5,5-tetramethylhexan-3-one;2,2,4,4-tetramethylpentan-3-one
CID 160958821

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane?
The IUPAC name of 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane (CID 161376368) is 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane.
What is the SMILES notation for 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane?
The canonical SMILES for 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane is C.CC(C)(C)S(=O)(=O)C(C)(C)C.CC(C)(C)S(=O)C(C)(C)C.
What is the InChIKey of 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane?
The InChIKey is VRDFBOMTGNGMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S.C8H18OS.CH4/c1-7(2,3)11(9,10)8(4,5)6;1-7(2,3)10(9)8(4,5)6;/h1-6H3;1-6H3;1H4.
What are the key properties of 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane?
2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane has a molecular weight of 356.64 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane is sourced from PubChem (CID 161376368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).