6-methoxythian-3-ol

C6H12O2S — CID 135226952

IUPAC6-methoxythian-3-ol
SMILESCOC1CCC(O)CS1
InChIInChI=1S/C6H12O2S/c1-8-6-3-2-5(7)4-9-6/h5-7H,2-4H2,1H3
InChIKeyCBDAGWKVFRENIR-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.85
Rot. Bonds1

About 6-methoxythian-3-ol

6-methoxythian-3-ol (PubChem CID 135226952) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 6-methoxythian-3-ol.

Molecular Properties

Compound Name6-methoxythian-3-ol
PubChem CID135226952
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name6-methoxythian-3-ol
SMILESCOC1CCC(O)CS1
InChIInChI=1S/C6H12O2S/c1-8-6-3-2-5(7)4-9-6/h5-7H,2-4H2,1H3
InChIKeyCBDAGWKVFRENIR-UHFFFAOYSA-N
XLogP0.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6R)-6-methylthian-3-ol
CID 124500554
trans-(1S,3S)-3-methoxycyclopentan-1-ol
CID 97049174
cyclohexane-1,4-diol
CID 11162
4-methoxycyclooctan-1-ol
CID 12651700
(3S,6S)-6-methoxyoxan-3-ol
CID 22859546
7-methoxybicyclo[4.1.0]heptan-3-ol
CID 163650018
3-methoxy-4-methylcyclohexan-1-ol
CID 89006966
(1S,2R,3S)-3-methoxycyclopentane-1,2-diol
CID 130972133
cyclohexane-1,4-diol;hydrochloride
CID 141062883
4-methoxythiolan-3-ol
CID 18953082
4-(3-methoxyazetidin-1-yl)cyclohexan-1-ol
CID 130548783
(1R,2S,4R,5S)-6-(trideuteriomethoxy)cyclohexane-1,2,3,4,5-pentol
CID 169443752

Frequently Asked Questions

What is the IUPAC name of 6-methoxythian-3-ol?
The IUPAC name of 6-methoxythian-3-ol (CID 135226952) is 6-methoxythian-3-ol.
What is the SMILES notation for 6-methoxythian-3-ol?
The canonical SMILES for 6-methoxythian-3-ol is COC1CCC(O)CS1.
What is the InChIKey of 6-methoxythian-3-ol?
The InChIKey is CBDAGWKVFRENIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-8-6-3-2-5(7)4-9-6/h5-7H,2-4H2,1H3.
What are the key properties of 6-methoxythian-3-ol?
6-methoxythian-3-ol has a molecular weight of 148.23 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxythian-3-ol is sourced from PubChem (CID 135226952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).