2-[2-(2-hydroxyethylsulfanyl)ethenylsulfanyl]ethanol

C6H12O2S2 — CID 72510312

IUPAC2-[2-(2-hydroxyethylsulfanyl)ethenylsulfanyl]ethanol
SMILESOCCSC=CSCCO
InChIInChI=1S/C6H12O2S2/c7-1-3-9-5-6-10-4-2-8/h5-8H,1-4H2
InChIKeyBVSRZQVFVAKOLT-UHFFFAOYSA-N
MW180.29 g/mol
LogP0.91
Rot. Bonds6

About 2-[2-(2-hydroxyethylsulfanyl)ethenylsulfanyl]ethanol

2-[2-(2-hydroxyethylsulfanyl)ethenylsulfanyl]ethanol (PubChem CID 72510312) has the molecular formula C6H12O2S2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethylsulfanyl)ethenylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethylsulfanyl)ethenylsulfanyl]ethanol
PubChem CID72510312
Molecular FormulaC6H12O2S2
Molecular Weight180.29 g/mol
Exact Mass180.03
IUPAC Name2-[2-(2-hydroxyethylsulfanyl)ethenylsulfanyl]ethanol
SMILESOCCSC=CSCCO
InChIInChI=1S/C6H12O2S2/c7-1-3-9-5-6-10-4-2-8/h5-8H,1-4H2
InChIKeyBVSRZQVFVAKOLT-UHFFFAOYSA-N
XLogP0.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
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-[2-(2-hydroxyethylsulfanyl)ethenylsulfanyl]ethanol?
The IUPAC name of 2-[2-(2-hydroxyethylsulfanyl)ethenylsulfanyl]ethanol (CID 72510312) is 2-[2-(2-hydroxyethylsulfanyl)ethenylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-(2-hydroxyethylsulfanyl)ethenylsulfanyl]ethanol?
The canonical SMILES for 2-[2-(2-hydroxyethylsulfanyl)ethenylsulfanyl]ethanol is OCCSC=CSCCO.
What is the InChIKey of 2-[2-(2-hydroxyethylsulfanyl)ethenylsulfanyl]ethanol?
The InChIKey is BVSRZQVFVAKOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S2/c7-1-3-9-5-6-10-4-2-8/h5-8H,1-4H2.
What are the key properties of 2-[2-(2-hydroxyethylsulfanyl)ethenylsulfanyl]ethanol?
2-[2-(2-hydroxyethylsulfanyl)ethenylsulfanyl]ethanol has a molecular weight of 180.29 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethylsulfanyl)ethenylsulfanyl]ethanol is sourced from PubChem (CID 72510312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).