5-ethylsulfanyloxan-2-ol

C7H14O2S — CID 130129841

IUPAC5-ethylsulfanyloxan-2-ol
SMILESCCSC1CCC(O)OC1
InChIInChI=1S/C7H14O2S/c1-2-10-6-3-4-7(8)9-5-6/h6-8H,2-5H2,1H3
InChIKeyTVJBBKDDERGQNO-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.24
Rot. Bonds2

About 5-ethylsulfanyloxan-2-ol

5-ethylsulfanyloxan-2-ol (PubChem CID 130129841) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 5-ethylsulfanyloxan-2-ol.

Molecular Properties

Compound Name5-ethylsulfanyloxan-2-ol
PubChem CID130129841
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name5-ethylsulfanyloxan-2-ol
SMILESCCSC1CCC(O)OC1
InChIInChI=1S/C7H14O2S/c1-2-10-6-3-4-7(8)9-5-6/h6-8H,2-5H2,1H3
InChIKeyTVJBBKDDERGQNO-UHFFFAOYSA-N
XLogP1.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxane-2,5-diol
CID 14502564
(5R)-5-methyloxan-2-ol
CID 159421753
1-ethylsulfanyl-4-methylcyclohexane
CID 118564055
ethylsulfanylcycloheptane
CID 67666697
1-ethylsulfanyl-3-methylcyclopentane
CID 91268071
ethylsulfanylcyclohexane;hydrate
CID 154657680
ethane;3-ethylsulfanylpyrrolidine
CID 143798471
(2R,5R)-1,4-dioxane-2,5-diol
CID 7269377
(2S)-2-ethyl-1,3-dioxolan-4-ol
CID 59048685
2-ethylsulfanyl-4-methyloxane
CID 123504399
1-(2-cyclopropyloxan-4-yl)-3-(3-ethylsulfanylcyclopentyl)urea
CID 86793360
2-(4-ethylsulfanylpiperidin-1-yl)acetonitrile
CID 131111116

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyloxan-2-ol?
The IUPAC name of 5-ethylsulfanyloxan-2-ol (CID 130129841) is 5-ethylsulfanyloxan-2-ol.
What is the SMILES notation for 5-ethylsulfanyloxan-2-ol?
The canonical SMILES for 5-ethylsulfanyloxan-2-ol is CCSC1CCC(O)OC1.
What is the InChIKey of 5-ethylsulfanyloxan-2-ol?
The InChIKey is TVJBBKDDERGQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-2-10-6-3-4-7(8)9-5-6/h6-8H,2-5H2,1H3.
What are the key properties of 5-ethylsulfanyloxan-2-ol?
5-ethylsulfanyloxan-2-ol has a molecular weight of 162.25 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyloxan-2-ol is sourced from PubChem (CID 130129841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).