1-methylsulfanyl-2-(2-methylsulfonylethylsulfonyl)ethane

C6H14O4S3 — CID 15150066

IUPAC1-methylsulfanyl-2-(2-methylsulfonylethylsulfonyl)ethane
SMILESCSCCS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C6H14O4S3/c1-11-3-4-13(9,10)6-5-12(2,7)8/h3-6H2,1-2H3
InChIKeyYIJVRUWIFAFNJY-UHFFFAOYSA-N
MW246.37 g/mol
LogP-0.19
Rot. Bonds6

About 1-methylsulfanyl-2-(2-methylsulfonylethylsulfonyl)ethane

1-methylsulfanyl-2-(2-methylsulfonylethylsulfonyl)ethane (PubChem CID 15150066) has the molecular formula C6H14O4S3 and a molecular weight of 246.37 g/mol. Its IUPAC name is 1-methylsulfanyl-2-(2-methylsulfonylethylsulfonyl)ethane.

Molecular Properties

Compound Name1-methylsulfanyl-2-(2-methylsulfonylethylsulfonyl)ethane
PubChem CID15150066
Molecular FormulaC6H14O4S3
Molecular Weight246.37 g/mol
Exact Mass246.01
IUPAC Name1-methylsulfanyl-2-(2-methylsulfonylethylsulfonyl)ethane
SMILESCSCCS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C6H14O4S3/c1-11-3-4-13(9,10)6-5-12(2,7)8/h3-6H2,1-2H3
InChIKeyYIJVRUWIFAFNJY-UHFFFAOYSA-N
XLogP-0.19
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-2-(2-methylsulfonylethylsulfonyl)ethane?
The IUPAC name of 1-methylsulfanyl-2-(2-methylsulfonylethylsulfonyl)ethane (CID 15150066) is 1-methylsulfanyl-2-(2-methylsulfonylethylsulfonyl)ethane.
What is the SMILES notation for 1-methylsulfanyl-2-(2-methylsulfonylethylsulfonyl)ethane?
The canonical SMILES for 1-methylsulfanyl-2-(2-methylsulfonylethylsulfonyl)ethane is CSCCS(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of 1-methylsulfanyl-2-(2-methylsulfonylethylsulfonyl)ethane?
The InChIKey is YIJVRUWIFAFNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4S3/c1-11-3-4-13(9,10)6-5-12(2,7)8/h3-6H2,1-2H3.
What are the key properties of 1-methylsulfanyl-2-(2-methylsulfonylethylsulfonyl)ethane?
1-methylsulfanyl-2-(2-methylsulfonylethylsulfonyl)ethane has a molecular weight of 246.37 g/mol, XLogP of -0.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-2-(2-methylsulfonylethylsulfonyl)ethane is sourced from PubChem (CID 15150066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).