1-methylsulfanyl-2-(2-methylsulfanylethylsulfonyl)ethane

C6H14O2S3 — CID 15089716

IUPAC1-methylsulfanyl-2-(2-methylsulfanylethylsulfonyl)ethane
SMILESCSCCS(=O)(=O)CCSC
InChIInChI=1S/C6H14O2S3/c1-9-3-5-11(7,8)6-4-10-2/h3-6H2,1-2H3
InChIKeyIMRNRNZPCBFCKC-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.13
Rot. Bonds6

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

1-methylsulfanyl-2-(2-methylsulfanylethylsulfonyl)ethane (PubChem CID 15089716) has the molecular formula C6H14O2S3 and a molecular weight of 214.38 g/mol. Its IUPAC name is 1-methylsulfanyl-2-(2-methylsulfanylethylsulfonyl)ethane.

Molecular Properties

Compound Name1-methylsulfanyl-2-(2-methylsulfanylethylsulfonyl)ethane
PubChem CID15089716
Molecular FormulaC6H14O2S3
Molecular Weight214.38 g/mol
Exact Mass214.02
IUPAC Name1-methylsulfanyl-2-(2-methylsulfanylethylsulfonyl)ethane
SMILESCSCCS(=O)(=O)CCSC
InChIInChI=1S/C6H14O2S3/c1-9-3-5-11(7,8)6-4-10-2/h3-6H2,1-2H3
InChIKeyIMRNRNZPCBFCKC-UHFFFAOYSA-N
XLogP1.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-2-(2-methylsulfanylethylsulfonyl)ethane?
The IUPAC name of 1-methylsulfanyl-2-(2-methylsulfanylethylsulfonyl)ethane (CID 15089716) is 1-methylsulfanyl-2-(2-methylsulfanylethylsulfonyl)ethane.
What is the SMILES notation for 1-methylsulfanyl-2-(2-methylsulfanylethylsulfonyl)ethane?
The canonical SMILES for 1-methylsulfanyl-2-(2-methylsulfanylethylsulfonyl)ethane is CSCCS(=O)(=O)CCSC.
What is the InChIKey of 1-methylsulfanyl-2-(2-methylsulfanylethylsulfonyl)ethane?
The InChIKey is IMRNRNZPCBFCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S3/c1-9-3-5-11(7,8)6-4-10-2/h3-6H2,1-2H3.
What are the key properties of 1-methylsulfanyl-2-(2-methylsulfanylethylsulfonyl)ethane?
1-methylsulfanyl-2-(2-methylsulfanylethylsulfonyl)ethane has a molecular weight of 214.38 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-2-(2-methylsulfanylethylsulfonyl)ethane is sourced from PubChem (CID 15089716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).