2-ethylsulfanylethanol

C4H10OS — CID 8075

IUPAC2-ethylsulfanylethanol
SMILESCCSCCO
InChIInChI=1S/C4H10OS/c1-2-6-4-3-5/h5H,2-4H2,1H3
InChIKeyLNRIEBFNWGMXKP-UHFFFAOYSA-N
MW106.19 g/mol
LogP0.73
Rot. Bonds3

About 2-ethylsulfanylethanol

2-ethylsulfanylethanol (PubChem CID 8075) has the molecular formula C4H10OS and a molecular weight of 106.19 g/mol. Its IUPAC name is 2-ethylsulfanylethanol.

Molecular Properties

Compound Name2-ethylsulfanylethanol
PubChem CID8075
Molecular FormulaC4H10OS
Molecular Weight106.19 g/mol
Exact Mass106.05
IUPAC Name2-ethylsulfanylethanol
SMILESCCSCCO
InChIInChI=1S/C4H10OS/c1-2-6-4-3-5/h5H,2-4H2,1H3
InChIKeyLNRIEBFNWGMXKP-UHFFFAOYSA-N
XLogP0.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethylsulfanylethanol?
The IUPAC name of 2-ethylsulfanylethanol (CID 8075) is 2-ethylsulfanylethanol.
What is the SMILES notation for 2-ethylsulfanylethanol?
The canonical SMILES for 2-ethylsulfanylethanol is CCSCCO.
What is the InChIKey of 2-ethylsulfanylethanol?
The InChIKey is LNRIEBFNWGMXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS/c1-2-6-4-3-5/h5H,2-4H2,1H3.
What are the key properties of 2-ethylsulfanylethanol?
2-ethylsulfanylethanol has a molecular weight of 106.19 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylethanol is sourced from PubChem (CID 8075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).