2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol

C8H16O5S — CID 122463656

IUPAC2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol
SMILESCC1OC(OCCS)C(O)C(O)C1O
InChIInChI=1S/C8H16O5S/c1-4-5(9)6(10)7(11)8(13-4)12-2-3-14/h4-11,14H,2-3H2,1H3
InChIKeyKOZBEBNFXISWJS-UHFFFAOYSA-N
MW224.28 g/mol
LogP-1.24
Rot. Bonds3

About 2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol

2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol (PubChem CID 122463656) has the molecular formula C8H16O5S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol
PubChem CID122463656
Molecular FormulaC8H16O5S
Molecular Weight224.28 g/mol
Exact Mass224.07
IUPAC Name2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol
SMILESCC1OC(OCCS)C(O)C(O)C1O
InChIInChI=1S/C8H16O5S/c1-4-5(9)6(10)7(11)8(13-4)12-2-3-14/h4-11,14H,2-3H2,1H3
InChIKeyKOZBEBNFXISWJS-UHFFFAOYSA-N
XLogP-1.24
TPSA79.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,5S)-5-(hydroxymethyl)-6-methyl-2-(2-sulfanylethoxy)oxane-3,4-diol
CID 129036081
(2R,3S,4R,5S,6S)-2-(2-bromoethoxy)-6-methyloxane-3,4,5-triol
CID 129411527
(2R,3S,4R,5S,6S)-2-(2-chloroethoxy)-6-methyloxane-3,4,5-triol
CID 102133392
(3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol
CID 153067799
(2S,3S,4R,5S,6R)-2-methyl-6-[3-(6-sulfanylhexylsulfanyl)propoxy]oxane-3,4,5-triol
CID 11187368
(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol
CID 90276853
(2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol
CID 163622719
(2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol
CID 121217017
(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane
CID 158281712
(3S,4R,5S,6S)-2-dodecoxy-6-methyloxane-3,4,5-triol
CID 90849789
(2R,3R,4S,5R,6R)-2-heptoxy-6-methyloxane-3,4,5-triol
CID 102241828
(2S,3R,4R,5R,6S)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol
CID 134936569

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol?
The IUPAC name of 2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol (CID 122463656) is 2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol.
What is the SMILES notation for 2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol?
The canonical SMILES for 2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol is CC1OC(OCCS)C(O)C(O)C1O.
What is the InChIKey of 2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol?
The InChIKey is KOZBEBNFXISWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5S/c1-4-5(9)6(10)7(11)8(13-4)12-2-3-14/h4-11,14H,2-3H2,1H3.
What are the key properties of 2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol?
2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol has a molecular weight of 224.28 g/mol, XLogP of -1.24, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol is sourced from PubChem (CID 122463656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).