2-(methylsulfanylmethylsulfanyl)ethanol

C4H10OS2 — CID 20700707

IUPAC2-(methylsulfanylmethylsulfanyl)ethanol
SMILESCSCSCCO
InChIInChI=1S/C4H10OS2/c1-6-4-7-3-2-5/h5H,2-4H2,1H3
InChIKeyLEILLEQUGZHUJV-UHFFFAOYSA-N
MW138.26 g/mol
LogP1.03
Rot. Bonds4

About 2-(methylsulfanylmethylsulfanyl)ethanol

2-(methylsulfanylmethylsulfanyl)ethanol (PubChem CID 20700707) has the molecular formula C4H10OS2 and a molecular weight of 138.26 g/mol. Its IUPAC name is 2-(methylsulfanylmethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(methylsulfanylmethylsulfanyl)ethanol
PubChem CID20700707
Molecular FormulaC4H10OS2
Molecular Weight138.26 g/mol
Exact Mass138.02
IUPAC Name2-(methylsulfanylmethylsulfanyl)ethanol
SMILESCSCSCCO
InChIInChI=1S/C4H10OS2/c1-6-4-7-3-2-5/h5H,2-4H2,1H3
InChIKeyLEILLEQUGZHUJV-UHFFFAOYSA-N
XLogP1.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(methylsulfanylmethylsulfanyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethylsulfanyl)ethanol?
The IUPAC name of 2-(methylsulfanylmethylsulfanyl)ethanol (CID 20700707) is 2-(methylsulfanylmethylsulfanyl)ethanol.
What is the SMILES notation for 2-(methylsulfanylmethylsulfanyl)ethanol?
The canonical SMILES for 2-(methylsulfanylmethylsulfanyl)ethanol is CSCSCCO.
What is the InChIKey of 2-(methylsulfanylmethylsulfanyl)ethanol?
The InChIKey is LEILLEQUGZHUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS2/c1-6-4-7-3-2-5/h5H,2-4H2,1H3.
What are the key properties of 2-(methylsulfanylmethylsulfanyl)ethanol?
2-(methylsulfanylmethylsulfanyl)ethanol has a molecular weight of 138.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethylsulfanyl)ethanol is sourced from PubChem (CID 20700707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).