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

C5H10O3S — CID 123868889

IUPAC2-(hydroxymethyl)-5-sulfanyloxolan-3-ol
SMILESOCC1OC(S)CC1O
InChIInChI=1S/C5H10O3S/c6-2-4-3(7)1-5(9)8-4/h3-7,9H,1-2H2
InChIKeyCFQWBHZMARNAET-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.62
Rot. Bonds1

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

2-(hydroxymethyl)-5-sulfanyloxolan-3-ol (PubChem CID 123868889) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-sulfanyloxolan-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-sulfanyloxolan-3-ol
PubChem CID123868889
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name2-(hydroxymethyl)-5-sulfanyloxolan-3-ol
SMILESOCC1OC(S)CC1O
InChIInChI=1S/C5H10O3S/c6-2-4-3(7)1-5(9)8-4/h3-7,9H,1-2H2
InChIKeyCFQWBHZMARNAET-UHFFFAOYSA-N
XLogP-0.62
TPSA49.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.62
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

(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
(2R,3R,5R,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 67701993
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 154684690
(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 59914550
CID 59914550
(2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol
CID 67099694
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
CID 59996261
CID 59996261
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite
CID 69004119
CID 161264357
CID 161264357

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-sulfanyloxolan-3-ol?
The IUPAC name of 2-(hydroxymethyl)-5-sulfanyloxolan-3-ol (CID 123868889) is 2-(hydroxymethyl)-5-sulfanyloxolan-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-5-sulfanyloxolan-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-5-sulfanyloxolan-3-ol is OCC1OC(S)CC1O.
What is the InChIKey of 2-(hydroxymethyl)-5-sulfanyloxolan-3-ol?
The InChIKey is CFQWBHZMARNAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c6-2-4-3(7)1-5(9)8-4/h3-7,9H,1-2H2.
What are the key properties of 2-(hydroxymethyl)-5-sulfanyloxolan-3-ol?
2-(hydroxymethyl)-5-sulfanyloxolan-3-ol has a molecular weight of 150.20 g/mol, XLogP of -0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-sulfanyloxolan-3-ol is sourced from PubChem (CID 123868889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).