1-ethylsulfanylethanol

C4H10OS — CID 19024902

IUPAC1-ethylsulfanylethanol
SMILESCCSC(C)O
InChIInChI=1S/C4H10OS/c1-3-6-4(2)5/h4-5H,3H2,1-2H3
InChIKeyNUTVORGGYDQIDD-UHFFFAOYSA-N
MW106.19 g/mol
LogP1.08
Rot. Bonds2

About 1-ethylsulfanylethanol

1-ethylsulfanylethanol (PubChem CID 19024902) has the molecular formula C4H10OS and a molecular weight of 106.19 g/mol. Its IUPAC name is 1-ethylsulfanylethanol.

Molecular Properties

Compound Name1-ethylsulfanylethanol
PubChem CID19024902
Molecular FormulaC4H10OS
Molecular Weight106.19 g/mol
Exact Mass106.05
IUPAC Name1-ethylsulfanylethanol
SMILESCCSC(C)O
InChIInChI=1S/C4H10OS/c1-3-6-4(2)5/h4-5H,3H2,1-2H3
InChIKeyNUTVORGGYDQIDD-UHFFFAOYSA-N
XLogP1.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanylethanol?
The IUPAC name of 1-ethylsulfanylethanol (CID 19024902) is 1-ethylsulfanylethanol.
What is the SMILES notation for 1-ethylsulfanylethanol?
The canonical SMILES for 1-ethylsulfanylethanol is CCSC(C)O.
What is the InChIKey of 1-ethylsulfanylethanol?
The InChIKey is NUTVORGGYDQIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS/c1-3-6-4(2)5/h4-5H,3H2,1-2H3.
What are the key properties of 1-ethylsulfanylethanol?
1-ethylsulfanylethanol has a molecular weight of 106.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanylethanol is sourced from PubChem (CID 19024902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).