2-methylsulfanyl-2-methylsulfonylbutane

C6H14O2S2 — CID 90735521

IUPAC2-methylsulfanyl-2-methylsulfonylbutane
SMILESCCC(C)(SC)S(C)(=O)=O
InChIInChI=1S/C6H14O2S2/c1-5-6(2,9-3)10(4,7)8/h5H2,1-4H3
InChIKeyKZJABXBPNNGCPH-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.52
Rot. Bonds3

About 2-methylsulfanyl-2-methylsulfonylbutane

2-methylsulfanyl-2-methylsulfonylbutane (PubChem CID 90735521) has the molecular formula C6H14O2S2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-methylsulfanyl-2-methylsulfonylbutane.

Molecular Properties

Compound Name2-methylsulfanyl-2-methylsulfonylbutane
PubChem CID90735521
Molecular FormulaC6H14O2S2
Molecular Weight182.31 g/mol
Exact Mass182.04
IUPAC Name2-methylsulfanyl-2-methylsulfonylbutane
SMILESCCC(C)(SC)S(C)(=O)=O
InChIInChI=1S/C6H14O2S2/c1-5-6(2,9-3)10(4,7)8/h5H2,1-4H3
InChIKeyKZJABXBPNNGCPH-UHFFFAOYSA-N
XLogP1.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Propyl sulfone
CID 11709
Methyl propyl sulfone
CID 121250
Butyl ethyl sulfone
CID 520509
Bis(ethylsulfonyl)methane
CID 240593
Butane, 1-(methylsulfonyl)-
CID 139046
1,3-Dithiane, 1,1-dioxide
CID 11744825
3-Methanesulfonylpropane-1-sulfonyl chloride
CID 50989327
3-(Methylsulfanyl)propane-1-sulfonyl chloride
CID 55279701
Ethyl n-propyl sulfone
CID 520507
4-Methanesulfonylbutane-1-sulfonyl chloride
CID 132327630
4-(Methylsulfanyl)butane-1-sulfonyl chloride
CID 155858663
Dimethyl(3-sulfopropyl)sulfoxonium oxide
CID 24195061

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-2-methylsulfonylbutane?
The IUPAC name of 2-methylsulfanyl-2-methylsulfonylbutane (CID 90735521) is 2-methylsulfanyl-2-methylsulfonylbutane.
What is the SMILES notation for 2-methylsulfanyl-2-methylsulfonylbutane?
The canonical SMILES for 2-methylsulfanyl-2-methylsulfonylbutane is CCC(C)(SC)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfanyl-2-methylsulfonylbutane?
The InChIKey is KZJABXBPNNGCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S2/c1-5-6(2,9-3)10(4,7)8/h5H2,1-4H3.
What are the key properties of 2-methylsulfanyl-2-methylsulfonylbutane?
2-methylsulfanyl-2-methylsulfonylbutane has a molecular weight of 182.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-2-methylsulfonylbutane is sourced from PubChem (CID 90735521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).