2-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol

C6H12O2S2 — CID 59080451

IUPAC2-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol
SMILESOCCS/C=C\SCCO
InChIInChI=1S/C6H12O2S2/c7-1-3-9-5-6-10-4-2-8/h5-8H,1-4H2/b6-5-
InChIKeyBVSRZQVFVAKOLT-WAYWQWQTSA-N
MW180.29 g/mol
LogP0.91
Rot. Bonds6

About 2-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol

2-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol (PubChem CID 59080451) has the molecular formula C6H12O2S2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol.

Molecular Properties

Compound Name2-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol
PubChem CID59080451
Molecular FormulaC6H12O2S2
Molecular Weight180.29 g/mol
Exact Mass180.03
IUPAC Name2-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol
SMILESOCCS/C=C\SCCO
InChIInChI=1S/C6H12O2S2/c7-1-3-9-5-6-10-4-2-8/h5-8H,1-4H2/b6-5-
InChIKeyBVSRZQVFVAKOLT-WAYWQWQTSA-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-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol?
The IUPAC name of 2-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol (CID 59080451) is 2-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol.
What is the SMILES notation for 2-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol?
The canonical SMILES for 2-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol is OCCS/C=C\SCCO.
What is the InChIKey of 2-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol?
The InChIKey is BVSRZQVFVAKOLT-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H12O2S2/c7-1-3-9-5-6-10-4-2-8/h5-8H,1-4H2/b6-5-.
What are the key properties of 2-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol?
2-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol 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-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol is sourced from PubChem (CID 59080451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).