2-(hydroxymethyl)-5-methylsulfanyloxolan-3-ol

C6H12O3S — CID 123221367

IUPAC2-(hydroxymethyl)-5-methylsulfanyloxolan-3-ol
SMILESCSC1CC(O)C(CO)O1
InChIInChI=1S/C6H12O3S/c1-10-6-2-4(8)5(3-7)9-6/h4-8H,2-3H2,1H3
InChIKeyCRJLXCOUTQUGSH-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.18
Rot. Bonds2

About 2-(hydroxymethyl)-5-methylsulfanyloxolan-3-ol

2-(hydroxymethyl)-5-methylsulfanyloxolan-3-ol (PubChem CID 123221367) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-methylsulfanyloxolan-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-methylsulfanyloxolan-3-ol
PubChem CID123221367
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name2-(hydroxymethyl)-5-methylsulfanyloxolan-3-ol
SMILESCSC1CC(O)C(CO)O1
InChIInChI=1S/C6H12O3S/c1-10-6-2-4(8)5(3-7)9-6/h4-8H,2-3H2,1H3
InChIKeyCRJLXCOUTQUGSH-UHFFFAOYSA-N
XLogP-0.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,5S)-5-(ethyldisulfanyl)-2-(hydroxymethyl)oxolan-3-ol
CID 102031500
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 154684690
(2R,3R,5R,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 67701993
(3R,6S)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 155780384
(2R,3S,5S,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 27556866
CID 161264357
CID 161264357
(2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol
CID 67099694
CID 59996261
CID 59996261
CID 59914550
CID 59914550

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-methylsulfanyloxolan-3-ol?
The IUPAC name of 2-(hydroxymethyl)-5-methylsulfanyloxolan-3-ol (CID 123221367) is 2-(hydroxymethyl)-5-methylsulfanyloxolan-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-5-methylsulfanyloxolan-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-5-methylsulfanyloxolan-3-ol is CSC1CC(O)C(CO)O1.
What is the InChIKey of 2-(hydroxymethyl)-5-methylsulfanyloxolan-3-ol?
The InChIKey is CRJLXCOUTQUGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-10-6-2-4(8)5(3-7)9-6/h4-8H,2-3H2,1H3.
What are the key properties of 2-(hydroxymethyl)-5-methylsulfanyloxolan-3-ol?
2-(hydroxymethyl)-5-methylsulfanyloxolan-3-ol has a molecular weight of 164.23 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-methylsulfanyloxolan-3-ol is sourced from PubChem (CID 123221367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).