2-(2-methyloxolan-3-yl)sulfanylethanol

C7H14O2S — CID 103847375

IUPAC2-(2-methyloxolan-3-yl)sulfanylethanol
SMILESCC1OCCC1SCCO
InChIInChI=1S/C7H14O2S/c1-6-7(2-4-9-6)10-5-3-8/h6-8H,2-5H2,1H3
InChIKeyZRRALFFASSUANW-UHFFFAOYSA-N
MW162.25 g/mol
LogP0.89
Rot. Bonds3

About 2-(2-methyloxolan-3-yl)sulfanylethanol

2-(2-methyloxolan-3-yl)sulfanylethanol (PubChem CID 103847375) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(2-methyloxolan-3-yl)sulfanylethanol
PubChem CID103847375
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name2-(2-methyloxolan-3-yl)sulfanylethanol
SMILESCC1OCCC1SCCO
InChIInChI=1S/C7H14O2S/c1-6-7(2-4-9-6)10-5-3-8/h6-8H,2-5H2,1H3
InChIKeyZRRALFFASSUANW-UHFFFAOYSA-N
XLogP0.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol
CID 107751769
3-(2-chloroethylsulfanyl)-2-methyloxolane
CID 107746824
3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine
CID 58684021
3-(5-bromopentylsulfanyl)-2-methyloxolane
CID 107746808
3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide
CID 107760881
2-cyclopropyl-2-(methylamino)-3-(2-methyloxolan-3-yl)sulfanylpropan-1-ol
CID 107764630
2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentan-1-one
CID 107752429
2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 107756876
2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide
CID 107755170
4-(2-methyloxolan-3-yl)sulfanyl-N-propylbutan-1-amine
CID 107756866
propan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate
CID 103847391
N-methyl-5-(2-methyloxolan-3-yl)sulfanylpentan-2-amine
CID 107762587

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-3-yl)sulfanylethanol?
The IUPAC name of 2-(2-methyloxolan-3-yl)sulfanylethanol (CID 103847375) is 2-(2-methyloxolan-3-yl)sulfanylethanol.
What is the SMILES notation for 2-(2-methyloxolan-3-yl)sulfanylethanol?
The canonical SMILES for 2-(2-methyloxolan-3-yl)sulfanylethanol is CC1OCCC1SCCO.
What is the InChIKey of 2-(2-methyloxolan-3-yl)sulfanylethanol?
The InChIKey is ZRRALFFASSUANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-6-7(2-4-9-6)10-5-3-8/h6-8H,2-5H2,1H3.
What are the key properties of 2-(2-methyloxolan-3-yl)sulfanylethanol?
2-(2-methyloxolan-3-yl)sulfanylethanol has a molecular weight of 162.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-3-yl)sulfanylethanol is sourced from PubChem (CID 103847375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).