methylsulfanyl(methylsulfanylmethylsulfonyl)methane

C4H10O2S3 — CID 15326856

IUPACmethylsulfanyl(methylsulfanylmethylsulfonyl)methane
SMILESCSCS(=O)(=O)CSC
InChIInChI=1S/C4H10O2S3/c1-7-3-9(5,6)4-8-2/h3-4H2,1-2H3
InChIKeyUJXNYBIMCSASPJ-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.04
Rot. Bonds4

About methylsulfanyl(methylsulfanylmethylsulfonyl)methane

methylsulfanyl(methylsulfanylmethylsulfonyl)methane (PubChem CID 15326856) has the molecular formula C4H10O2S3 and a molecular weight of 186.32 g/mol. Its IUPAC name is methylsulfanyl(methylsulfanylmethylsulfonyl)methane.

Molecular Properties

Compound Namemethylsulfanyl(methylsulfanylmethylsulfonyl)methane
PubChem CID15326856
Molecular FormulaC4H10O2S3
Molecular Weight186.32 g/mol
Exact Mass185.98
IUPAC Namemethylsulfanyl(methylsulfanylmethylsulfonyl)methane
SMILESCSCS(=O)(=O)CSC
InChIInChI=1S/C4H10O2S3/c1-7-3-9(5,6)4-8-2/h3-4H2,1-2H3
InChIKeyUJXNYBIMCSASPJ-UHFFFAOYSA-N
XLogP1.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methylsulfanyl(methylsulfanylmethylsulfonyl)methane?
The IUPAC name of methylsulfanyl(methylsulfanylmethylsulfonyl)methane (CID 15326856) is methylsulfanyl(methylsulfanylmethylsulfonyl)methane.
What is the SMILES notation for methylsulfanyl(methylsulfanylmethylsulfonyl)methane?
The canonical SMILES for methylsulfanyl(methylsulfanylmethylsulfonyl)methane is CSCS(=O)(=O)CSC.
What is the InChIKey of methylsulfanyl(methylsulfanylmethylsulfonyl)methane?
The InChIKey is UJXNYBIMCSASPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S3/c1-7-3-9(5,6)4-8-2/h3-4H2,1-2H3.
What are the key properties of methylsulfanyl(methylsulfanylmethylsulfonyl)methane?
methylsulfanyl(methylsulfanylmethylsulfonyl)methane has a molecular weight of 186.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanyl(methylsulfanylmethylsulfonyl)methane is sourced from PubChem (CID 15326856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).