(4-methyl-5-sulfanyloxolan-2-yl)methanol

C6H12O2S — CID 163849381

IUPAC(4-methyl-5-sulfanyloxolan-2-yl)methanol
SMILESCC1CC(CO)OC1S
InChIInChI=1S/C6H12O2S/c1-4-2-5(3-7)8-6(4)9/h4-7,9H,2-3H2,1H3
InChIKeyOSZWGGUBLNKMGC-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.66
Rot. Bonds1

About (4-methyl-5-sulfanyloxolan-2-yl)methanol

(4-methyl-5-sulfanyloxolan-2-yl)methanol (PubChem CID 163849381) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is (4-methyl-5-sulfanyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(4-methyl-5-sulfanyloxolan-2-yl)methanol
PubChem CID163849381
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name(4-methyl-5-sulfanyloxolan-2-yl)methanol
SMILESCC1CC(CO)OC1S
InChIInChI=1S/C6H12O2S/c1-4-2-5(3-7)8-6(4)9/h4-7,9H,2-3H2,1H3
InChIKeyOSZWGGUBLNKMGC-UHFFFAOYSA-N
XLogP0.66
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 159348131
CID 159348131
(5-ethyl-4-methyloxolan-2-yl)methanol
CID 90933878
[(4S)-4,6-dimethyloxan-2-yl]methanol
CID 59821303
[(2S,5S)-4-bromo-5-methyloxolan-2-yl]methanol
CID 140536422
[(1S,3S,5S)-7-methyl-2,6-dioxabicyclo[3.2.0]heptan-3-yl]methanol
CID 121245668
ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 143276488
[6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
CID 130148196
[(2S,5S)-3-methyl-5-propyloxolan-2-yl]methanol
CID 159262400
4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol
CID 102221162
2-(hydroxymethyl)-5-methyloxan-4-ol
CID 144823252
(2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol
CID 129171598
(4S)-7-(hydroxymethyl)oxepane-2,4,5-triol
CID 163289126

Frequently Asked Questions

What is the IUPAC name of (4-methyl-5-sulfanyloxolan-2-yl)methanol?
The IUPAC name of (4-methyl-5-sulfanyloxolan-2-yl)methanol (CID 163849381) is (4-methyl-5-sulfanyloxolan-2-yl)methanol.
What is the SMILES notation for (4-methyl-5-sulfanyloxolan-2-yl)methanol?
The canonical SMILES for (4-methyl-5-sulfanyloxolan-2-yl)methanol is CC1CC(CO)OC1S.
What is the InChIKey of (4-methyl-5-sulfanyloxolan-2-yl)methanol?
The InChIKey is OSZWGGUBLNKMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-4-2-5(3-7)8-6(4)9/h4-7,9H,2-3H2,1H3.
What are the key properties of (4-methyl-5-sulfanyloxolan-2-yl)methanol?
(4-methyl-5-sulfanyloxolan-2-yl)methanol has a molecular weight of 148.23 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5-sulfanyloxolan-2-yl)methanol is sourced from PubChem (CID 163849381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).