2-methoxy-1-(thian-2-yl)ethanol

C8H16O2S — CID 80622694

IUPAC2-methoxy-1-(thian-2-yl)ethanol
SMILESCOCC(O)C1CCCCS1
InChIInChI=1S/C8H16O2S/c1-10-6-7(9)8-4-2-3-5-11-8/h7-9H,2-6H2,1H3
InChIKeyYAJVTWMCTWOILI-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.28
Rot. Bonds3

About 2-methoxy-1-(thian-2-yl)ethanol

2-methoxy-1-(thian-2-yl)ethanol (PubChem CID 80622694) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 2-methoxy-1-(thian-2-yl)ethanol.

Molecular Properties

Compound Name2-methoxy-1-(thian-2-yl)ethanol
PubChem CID80622694
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name2-methoxy-1-(thian-2-yl)ethanol
SMILESCOCC(O)C1CCCCS1
InChIInChI=1S/C8H16O2S/c1-10-6-7(9)8-4-2-3-5-11-8/h7-9H,2-6H2,1H3
InChIKeyYAJVTWMCTWOILI-UHFFFAOYSA-N
XLogP1.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-(thian-2-yl)butan-1-ol
CID 114854963
3-methyl-1-(thian-2-yl)pentan-1-ol
CID 80621983
4-methoxy-1-(thian-2-yl)butan-1-amine
CID 114856664
4-methyl-1-(thiolan-2-yl)pentan-1-ol
CID 80622430
4,4-dimethyl-1-(thiolan-2-yl)pentan-1-ol
CID 80623256
2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol
CID 80621626
2-(4-iodophenyl)-1-(thian-2-yl)ethanol
CID 80623165
(4-methoxyphenyl)-(thian-2-yl)methanol
CID 80622350
N-(1-bromo-3-methoxypropan-2-yl)thiane-2-carboxamide
CID 106184222
(1S)-1-(thian-2-yl)ethanamine
CID 104932067
2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol
CID 107308228
2-pyridin-2-yl-1-(thian-2-yl)ethanol
CID 80622096

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(thian-2-yl)ethanol?
The IUPAC name of 2-methoxy-1-(thian-2-yl)ethanol (CID 80622694) is 2-methoxy-1-(thian-2-yl)ethanol.
What is the SMILES notation for 2-methoxy-1-(thian-2-yl)ethanol?
The canonical SMILES for 2-methoxy-1-(thian-2-yl)ethanol is COCC(O)C1CCCCS1.
What is the InChIKey of 2-methoxy-1-(thian-2-yl)ethanol?
The InChIKey is YAJVTWMCTWOILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-10-6-7(9)8-4-2-3-5-11-8/h7-9H,2-6H2,1H3.
What are the key properties of 2-methoxy-1-(thian-2-yl)ethanol?
2-methoxy-1-(thian-2-yl)ethanol has a molecular weight of 176.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(thian-2-yl)ethanol is sourced from PubChem (CID 80622694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).