2-(methylsulfonylmethylsulfanyl)ethanol

C4H10O3S2 — CID 548382

IUPAC2-(methylsulfonylmethylsulfanyl)ethanol
SMILESCS(=O)(=O)CSCCO
InChIInChI=1S/C4H10O3S2/c1-9(6,7)4-8-3-2-5/h5H,2-4H2,1H3
InChIKeyIHCZCIDTAQHMPU-UHFFFAOYSA-N
MW170.25 g/mol
LogP-0.29
Rot. Bonds4

About 2-(methylsulfonylmethylsulfanyl)ethanol

2-(methylsulfonylmethylsulfanyl)ethanol (PubChem CID 548382) has the molecular formula C4H10O3S2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(methylsulfonylmethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(methylsulfonylmethylsulfanyl)ethanol
PubChem CID548382
Molecular FormulaC4H10O3S2
Molecular Weight170.25 g/mol
Exact Mass170.01
IUPAC Name2-(methylsulfonylmethylsulfanyl)ethanol
SMILESCS(=O)(=O)CSCCO
InChIInChI=1S/C4H10O3S2/c1-9(6,7)4-8-3-2-5/h5H,2-4H2,1H3
InChIKeyIHCZCIDTAQHMPU-UHFFFAOYSA-N
XLogP-0.29
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfonylmethylsulfanyl)ethanol?
The IUPAC name of 2-(methylsulfonylmethylsulfanyl)ethanol (CID 548382) is 2-(methylsulfonylmethylsulfanyl)ethanol.
What is the SMILES notation for 2-(methylsulfonylmethylsulfanyl)ethanol?
The canonical SMILES for 2-(methylsulfonylmethylsulfanyl)ethanol is CS(=O)(=O)CSCCO.
What is the InChIKey of 2-(methylsulfonylmethylsulfanyl)ethanol?
The InChIKey is IHCZCIDTAQHMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3S2/c1-9(6,7)4-8-3-2-5/h5H,2-4H2,1H3.
What are the key properties of 2-(methylsulfonylmethylsulfanyl)ethanol?
2-(methylsulfonylmethylsulfanyl)ethanol has a molecular weight of 170.25 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfonylmethylsulfanyl)ethanol is sourced from PubChem (CID 548382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).