2-(2-ethenoxyethylsulfanyl)ethanol

C6H12O2S — CID 524281

IUPAC2-(2-ethenoxyethylsulfanyl)ethanol
SMILESC=COCCSCCO
InChIInChI=1S/C6H12O2S/c1-2-8-4-6-9-5-3-7/h2,7H,1,3-6H2
InChIKeyILYUCDPLSQXEFY-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.87
Rot. Bonds6

About 2-(2-ethenoxyethylsulfanyl)ethanol

2-(2-ethenoxyethylsulfanyl)ethanol (PubChem CID 524281) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-(2-ethenoxyethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(2-ethenoxyethylsulfanyl)ethanol
PubChem CID524281
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name2-(2-ethenoxyethylsulfanyl)ethanol
SMILESC=COCCSCCO
InChIInChI=1S/C6H12O2S/c1-2-8-4-6-9-5-3-7/h2,7H,1,3-6H2
InChIKeyILYUCDPLSQXEFY-UHFFFAOYSA-N
XLogP0.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-ethenoxyethylsulfanyl)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

Ethanol, 2-(ethenylthio)-
CID 520498
Ethene, 1,1'-(thiobis(2,1-ethanediyloxy))bis-
CID 3377530
1-(2-Hydroxyethylthio)-2-(vinylthio)ethane
CID 528230
Ethanol, 2,2'-[1,2-ethenediylbis(thio)]bis-
CID 87790083
1-Ethenoxy-2-ethylsulfanylethane;rutherfordium
CID 59029822
2-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol
CID 59080451
2-[2-(2-Hydroxyethylsulfanyl)ethenylsulfanyl]ethanol
CID 72510312
Ethene;2-(2-hydroxyethylsulfanyl)ethanol
CID 88363310
Ethene;1-(1-hydroxyethylsulfanyl)ethanol
CID 88706242
2-[2-(2-Hydroxyethenylsulfanyl)ethylsulfanyl]ethanol
CID 154069585

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethylsulfanyl)ethanol?
The IUPAC name of 2-(2-ethenoxyethylsulfanyl)ethanol (CID 524281) is 2-(2-ethenoxyethylsulfanyl)ethanol.
What is the SMILES notation for 2-(2-ethenoxyethylsulfanyl)ethanol?
The canonical SMILES for 2-(2-ethenoxyethylsulfanyl)ethanol is C=COCCSCCO.
What is the InChIKey of 2-(2-ethenoxyethylsulfanyl)ethanol?
The InChIKey is ILYUCDPLSQXEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-2-8-4-6-9-5-3-7/h2,7H,1,3-6H2.
What are the key properties of 2-(2-ethenoxyethylsulfanyl)ethanol?
2-(2-ethenoxyethylsulfanyl)ethanol has a molecular weight of 148.23 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethylsulfanyl)ethanol is sourced from PubChem (CID 524281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).