2-ethyl-5-sulfanyloxolane-3,4-diol

C6H12O3S — CID 130303244

IUPAC2-ethyl-5-sulfanyloxolane-3,4-diol
SMILESCCC1OC(S)C(O)C1O
InChIInChI=1S/C6H12O3S/c1-2-3-4(7)5(8)6(10)9-3/h3-8,10H,2H2,1H3
InChIKeyKBPOHBIVEBIDJG-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.23
Rot. Bonds1

About 2-ethyl-5-sulfanyloxolane-3,4-diol

2-ethyl-5-sulfanyloxolane-3,4-diol (PubChem CID 130303244) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-ethyl-5-sulfanyloxolane-3,4-diol.

Molecular Properties

Compound Name2-ethyl-5-sulfanyloxolane-3,4-diol
PubChem CID130303244
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name2-ethyl-5-sulfanyloxolane-3,4-diol
SMILESCCC1OC(S)C(O)C1O
InChIInChI=1S/C6H12O3S/c1-2-3-4(7)5(8)6(10)9-3/h3-8,10H,2H2,1H3
InChIKeyKBPOHBIVEBIDJG-UHFFFAOYSA-N
XLogP-0.23
TPSA49.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4S,5S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
CID 23397976
(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 59615653
(2S,3S,4R,5S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
CID 87274614
alpha-D-Glucopyranose, 1-thio-, sodium salt (1:1)
CID 131882251
(2R,4R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89053522
gold;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
CID 88799890
(2R,3S,4R,5S,6R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 131178866
(2R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89021671
(3R,4S,5R)-5-ethyloxolane-2,3,4-triol
CID 59169178
2-((18F)fluoromethyl)-6-sulfanyloxane-3,4,5-triol
CID 59184393
(6R)-6-ethyloxane-2,3,4,5-tetrol
CID 59974126
(2R,5S)-6-ethyloxane-2,3,4,5-tetrol
CID 163614233

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-sulfanyloxolane-3,4-diol?
The IUPAC name of 2-ethyl-5-sulfanyloxolane-3,4-diol (CID 130303244) is 2-ethyl-5-sulfanyloxolane-3,4-diol.
What is the SMILES notation for 2-ethyl-5-sulfanyloxolane-3,4-diol?
The canonical SMILES for 2-ethyl-5-sulfanyloxolane-3,4-diol is CCC1OC(S)C(O)C1O.
What is the InChIKey of 2-ethyl-5-sulfanyloxolane-3,4-diol?
The InChIKey is KBPOHBIVEBIDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-2-3-4(7)5(8)6(10)9-3/h3-8,10H,2H2,1H3.
What are the key properties of 2-ethyl-5-sulfanyloxolane-3,4-diol?
2-ethyl-5-sulfanyloxolane-3,4-diol has a molecular weight of 164.23 g/mol, XLogP of -0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-sulfanyloxolane-3,4-diol is sourced from PubChem (CID 130303244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).