2-(1-ethenylsulfanylethylsulfanyl)ethanol

C6H12OS2 — CID 22211846

IUPAC2-(1-ethenylsulfanylethylsulfanyl)ethanol
SMILESC=CSC(C)SCCO
InChIInChI=1S/C6H12OS2/c1-3-8-6(2)9-5-4-7/h3,6-7H,1,4-5H2,2H3
InChIKeyXQODJZRFLVSXMA-UHFFFAOYSA-N
MW164.29 g/mol
LogP1.93
Rot. Bonds5

About 2-(1-ethenylsulfanylethylsulfanyl)ethanol

2-(1-ethenylsulfanylethylsulfanyl)ethanol (PubChem CID 22211846) has the molecular formula C6H12OS2 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2-(1-ethenylsulfanylethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(1-ethenylsulfanylethylsulfanyl)ethanol
PubChem CID22211846
Molecular FormulaC6H12OS2
Molecular Weight164.29 g/mol
Exact Mass164.03
IUPAC Name2-(1-ethenylsulfanylethylsulfanyl)ethanol
SMILESC=CSC(C)SCCO
InChIInChI=1S/C6H12OS2/c1-3-8-6(2)9-5-4-7/h3,6-7H,1,4-5H2,2H3
InChIKeyXQODJZRFLVSXMA-UHFFFAOYSA-N
XLogP1.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethanol, 2-(ethenylthio)-
CID 520498
(Vinylthio)ethanol
CID 3014169
1-Oxa-4,7-dithionane
CID 528228
2,2-Dimethylthioethanol
CID 14729212
2,2-Ethylendithiodiethanol
CID 20265491
1-(2-Hydroxyethylthio)-2-(vinylthio)ethane
CID 528230
Ethanol, 2-(methylthio)methylthio
CID 20700707
Ethanol, 2,2'-[1,2-ethenediylbis(thio)]bis-
CID 87790083
2-(2,3-Dihydro-1,4-thiaselenin-2-ylsulfanyl)ethanol
CID 138964527
2-[1-(2-Hydroxyethylsulfanyl)ethenylsulfanyl]ethanol
CID 101668185
2,2-Bis(ethylsulfanyl)ethanol
CID 13028966
2-(2-Methylsulfanylethylsulfanyl)ethanol
CID 15150064

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenylsulfanylethylsulfanyl)ethanol?
The IUPAC name of 2-(1-ethenylsulfanylethylsulfanyl)ethanol (CID 22211846) is 2-(1-ethenylsulfanylethylsulfanyl)ethanol.
What is the SMILES notation for 2-(1-ethenylsulfanylethylsulfanyl)ethanol?
The canonical SMILES for 2-(1-ethenylsulfanylethylsulfanyl)ethanol is C=CSC(C)SCCO.
What is the InChIKey of 2-(1-ethenylsulfanylethylsulfanyl)ethanol?
The InChIKey is XQODJZRFLVSXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS2/c1-3-8-6(2)9-5-4-7/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 2-(1-ethenylsulfanylethylsulfanyl)ethanol?
2-(1-ethenylsulfanylethylsulfanyl)ethanol has a molecular weight of 164.29 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenylsulfanylethylsulfanyl)ethanol is sourced from PubChem (CID 22211846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).