4-methoxythiolan-3-ol

C5H10O2S — CID 18953082

IUPAC4-methoxythiolan-3-ol
SMILESCOC1CSCC1O
InChIInChI=1S/C5H10O2S/c1-7-5-3-8-2-4(5)6/h4-6H,2-3H2,1H3
InChIKeyQQDQSUXCSVFYFE-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.11
Rot. Bonds1

About 4-methoxythiolan-3-ol

4-methoxythiolan-3-ol (PubChem CID 18953082) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 4-methoxythiolan-3-ol.

Molecular Properties

Compound Name4-methoxythiolan-3-ol
PubChem CID18953082
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name4-methoxythiolan-3-ol
SMILESCOC1CSCC1O
InChIInChI=1S/C5H10O2S/c1-7-5-3-8-2-4(5)6/h4-6H,2-3H2,1H3
InChIKeyQQDQSUXCSVFYFE-UHFFFAOYSA-N
XLogP0.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxythiolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5S,6R,8S,12S,15S,19S,20R,24R)-6,13,20,22,24,26-hexamethoxy-3,10,17-trithiatetracyclo[17.2.2.25,8.212,15]heptacosane
CID 138752565
(3S,4R)-4-aminothiolan-3-ol
CID 1361798
(3S,4R)-4-methylthiolan-3-ol
CID 10374449
acetic acid;(3R,4S)-thiolane-3,4-diol
CID 71412938
(1R,2R,3S)-3-methoxycyclobutane-1,2-diol
CID 22814752
(1S,2R,3S)-3-methoxycyclopentane-1,2-diol
CID 130972133
(2S)-2-methoxycyclohexan-1-ol
CID 11105391
4-methoxycyclohexane-1,2,3-triol
CID 54277163
ethane;2-methoxycyclopentan-1-ol
CID 177178786
(3S,4R)-4-methoxypyrrolidin-3-ol
CID 59034600
4-sulfanylthiolan-3-ol
CID 12895930
tetrakis(thietan-3-ol);zirconium
CID 140598106

Frequently Asked Questions

What is the IUPAC name of 4-methoxythiolan-3-ol?
The IUPAC name of 4-methoxythiolan-3-ol (CID 18953082) is 4-methoxythiolan-3-ol.
What is the SMILES notation for 4-methoxythiolan-3-ol?
The canonical SMILES for 4-methoxythiolan-3-ol is COC1CSCC1O.
What is the InChIKey of 4-methoxythiolan-3-ol?
The InChIKey is QQDQSUXCSVFYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-7-5-3-8-2-4(5)6/h4-6H,2-3H2,1H3.
What are the key properties of 4-methoxythiolan-3-ol?
4-methoxythiolan-3-ol has a molecular weight of 134.20 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxythiolan-3-ol is sourced from PubChem (CID 18953082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).