1-(ethoxymethoxy)propane-1-thiol

C6H14O2S — CID 173191953

IUPAC1-(ethoxymethoxy)propane-1-thiol
SMILESCCOCOC(S)CC
InChIInChI=1S/C6H14O2S/c1-3-6(9)8-5-7-4-2/h6,9H,3-5H2,1-2H3
InChIKeySZXBZXONTBJHEY-UHFFFAOYSA-N
MW150.24 g/mol
LogP1.66
Rot. Bonds5

About 1-(ethoxymethoxy)propane-1-thiol

1-(ethoxymethoxy)propane-1-thiol (PubChem CID 173191953) has the molecular formula C6H14O2S and a molecular weight of 150.24 g/mol. Its IUPAC name is 1-(ethoxymethoxy)propane-1-thiol.

Molecular Properties

Compound Name1-(ethoxymethoxy)propane-1-thiol
PubChem CID173191953
Molecular FormulaC6H14O2S
Molecular Weight150.24 g/mol
Exact Mass150.07
IUPAC Name1-(ethoxymethoxy)propane-1-thiol
SMILESCCOCOC(S)CC
InChIInChI=1S/C6H14O2S/c1-3-6(9)8-5-7-4-2/h6,9H,3-5H2,1-2H3
InChIKeySZXBZXONTBJHEY-UHFFFAOYSA-N
XLogP1.66
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-propoxypropane-1-thiol
CID 57215222
ethyl 2-(ethoxymethoxy)propanoate
CID 21189118
1-(ethoxymethoxy)butan-1-ol
CID 19047954
O-(1-sulfanylpropyl)hydroxylamine
CID 155907410
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
(2R,3R)-3-(ethoxymethoxy)pent-4-en-2-ol
CID 50922919
bis(dimethoxymethane);ethoxymethoxyethane
CID 158499247
ethoxymethyl hypoiodite
CID 143401177
1-(ethoxymethoxy)pentan-3-ol
CID 139715478
ethoxyethane;hydrate
CID 22594236
ethoxyethane;sulfane
CID 87243372

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethoxy)propane-1-thiol?
The IUPAC name of 1-(ethoxymethoxy)propane-1-thiol (CID 173191953) is 1-(ethoxymethoxy)propane-1-thiol.
What is the SMILES notation for 1-(ethoxymethoxy)propane-1-thiol?
The canonical SMILES for 1-(ethoxymethoxy)propane-1-thiol is CCOCOC(S)CC.
What is the InChIKey of 1-(ethoxymethoxy)propane-1-thiol?
The InChIKey is SZXBZXONTBJHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S/c1-3-6(9)8-5-7-4-2/h6,9H,3-5H2,1-2H3.
What are the key properties of 1-(ethoxymethoxy)propane-1-thiol?
1-(ethoxymethoxy)propane-1-thiol has a molecular weight of 150.24 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethoxy)propane-1-thiol is sourced from PubChem (CID 173191953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).