1-methylsulfanyl-1-methylsulfonylethane

C4H10O2S2 — CID 12759865

IUPAC1-methylsulfanyl-1-methylsulfonylethane
SMILESCSC(C)S(C)(=O)=O
InChIInChI=1S/C4H10O2S2/c1-4(7-2)8(3,5)6/h4H,1-3H3
InChIKeyDJTMKJXBNOBIOC-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.74
Rot. Bonds2

About 1-methylsulfanyl-1-methylsulfonylethane

1-methylsulfanyl-1-methylsulfonylethane (PubChem CID 12759865) has the molecular formula C4H10O2S2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-methylsulfanyl-1-methylsulfonylethane.

Molecular Properties

Compound Name1-methylsulfanyl-1-methylsulfonylethane
PubChem CID12759865
Molecular FormulaC4H10O2S2
Molecular Weight154.26 g/mol
Exact Mass154.01
IUPAC Name1-methylsulfanyl-1-methylsulfonylethane
SMILESCSC(C)S(C)(=O)=O
InChIInChI=1S/C4H10O2S2/c1-4(7-2)8(3,5)6/h4H,1-3H3
InChIKeyDJTMKJXBNOBIOC-UHFFFAOYSA-N
XLogP0.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Sulfonmethane
CID 8262
Ethyl methyl sulfone
CID 79059
Ethylicin
CID 229052
Ethyl sulfone
CID 69004
1,2-Bis(methylsulfonyl)ethane
CID 240588
2-(Methylsulfanyl)ethane-1-sulfonate
CID 18343309
Bis(ethylsulfonyl)methane
CID 240593
1,1-Bis(ethylsulfonyl)ethane
CID 313504
Sulfone, bis(2-(ethylthio)ethyl)
CID 205254
Ethane, 1,1'-((dibromomethylene)bis(sulfonyl))bis-
CID 240589
1,2-Bis(ethylsulfonyl)ethane
CID 118582
2-(Methylsulphonyl)propane
CID 138372

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-1-methylsulfonylethane?
The IUPAC name of 1-methylsulfanyl-1-methylsulfonylethane (CID 12759865) is 1-methylsulfanyl-1-methylsulfonylethane.
What is the SMILES notation for 1-methylsulfanyl-1-methylsulfonylethane?
The canonical SMILES for 1-methylsulfanyl-1-methylsulfonylethane is CSC(C)S(C)(=O)=O.
What is the InChIKey of 1-methylsulfanyl-1-methylsulfonylethane?
The InChIKey is DJTMKJXBNOBIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S2/c1-4(7-2)8(3,5)6/h4H,1-3H3.
What are the key properties of 1-methylsulfanyl-1-methylsulfonylethane?
1-methylsulfanyl-1-methylsulfonylethane has a molecular weight of 154.26 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-1-methylsulfonylethane is sourced from PubChem (CID 12759865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).