2-(1-ethoxypropan-2-yloxy)ethanethiol

C7H16O2S — CID 103491367

IUPAC2-(1-ethoxypropan-2-yloxy)ethanethiol
SMILESCCOCC(C)OCCS
InChIInChI=1S/C7H16O2S/c1-3-8-6-7(2)9-4-5-10/h7,10H,3-6H2,1-2H3
InChIKeyOEWPHIWHUNYJKA-UHFFFAOYSA-N
MW164.27 g/mol
LogP1.36
Rot. Bonds6

About 2-(1-ethoxypropan-2-yloxy)ethanethiol

2-(1-ethoxypropan-2-yloxy)ethanethiol (PubChem CID 103491367) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-yloxy)ethanethiol.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-yloxy)ethanethiol
PubChem CID103491367
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Name2-(1-ethoxypropan-2-yloxy)ethanethiol
SMILESCCOCC(C)OCCS
InChIInChI=1S/C7H16O2S/c1-3-8-6-7(2)9-4-5-10/h7,10H,3-6H2,1-2H3
InChIKeyOEWPHIWHUNYJKA-UHFFFAOYSA-N
XLogP1.36
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1,2-diethoxypropane
CID 92973991
2-(2-chloroethoxy)-1-ethoxypropane
CID 103487889
2-[2-[2-(1-methoxypropan-2-yloxy)ethoxy]ethoxy]ethanethiol
CID 172538791
1-[1-(1-ethoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 155168253
N-[2-(1-ethoxypropan-2-yloxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 103490717
2-amino-4-(1-ethoxypropan-2-yloxy)-2-methylbutan-1-ol
CID 103491080
4-(1-ethoxypropan-2-yloxy)-N-methylbutan-1-amine
CID 103490477
2-ethoxy-1-(2-ethoxypropoxy)propane
CID 21277912
4-(1-ethoxypropan-2-yloxy)butanoic acid
CID 103486155
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
1-ethoxy-2-(2-ethoxypropoxy)propane;1-ethoxy-2-(2-methoxypropoxy)propane
CID 159210596
N-[2-(1-ethoxypropan-2-yloxy)ethyl]-3-methoxypropan-1-amine
CID 103490751

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-yloxy)ethanethiol?
The IUPAC name of 2-(1-ethoxypropan-2-yloxy)ethanethiol (CID 103491367) is 2-(1-ethoxypropan-2-yloxy)ethanethiol.
What is the SMILES notation for 2-(1-ethoxypropan-2-yloxy)ethanethiol?
The canonical SMILES for 2-(1-ethoxypropan-2-yloxy)ethanethiol is CCOCC(C)OCCS.
What is the InChIKey of 2-(1-ethoxypropan-2-yloxy)ethanethiol?
The InChIKey is OEWPHIWHUNYJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2S/c1-3-8-6-7(2)9-4-5-10/h7,10H,3-6H2,1-2H3.
What are the key properties of 2-(1-ethoxypropan-2-yloxy)ethanethiol?
2-(1-ethoxypropan-2-yloxy)ethanethiol has a molecular weight of 164.27 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-yloxy)ethanethiol is sourced from PubChem (CID 103491367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).