1-(2-prop-2-enylsulfanylethoxy)propane

C8H16OS — CID 12507337

IUPAC1-(2-prop-2-enylsulfanylethoxy)propane
SMILESC=CCSCCOCCC
InChIInChI=1S/C8H16OS/c1-3-5-9-6-8-10-7-4-2/h4H,2-3,5-8H2,1H3
InChIKeyUJNHNKZETVWCTG-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.33
Rot. Bonds7

About 1-(2-prop-2-enylsulfanylethoxy)propane

1-(2-prop-2-enylsulfanylethoxy)propane (PubChem CID 12507337) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 1-(2-prop-2-enylsulfanylethoxy)propane.

Molecular Properties

Compound Name1-(2-prop-2-enylsulfanylethoxy)propane
PubChem CID12507337
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name1-(2-prop-2-enylsulfanylethoxy)propane
SMILESC=CCSCCOCCC
InChIInChI=1S/C8H16OS/c1-3-5-9-6-8-10-7-4-2/h4H,2-3,5-8H2,1H3
InChIKeyUJNHNKZETVWCTG-UHFFFAOYSA-N
XLogP2.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Oxa-4,10-dithiatridecane-1,12-diene
CID 86069100
3-Ethylsulfanyl-4-(2-ethylsulfanylbut-3-enoxy)but-1-ene
CID 57235135
4-Ethoxy-3-(1-ethoxybut-3-en-2-ylsulfanyl)but-1-ene
CID 87899820
2-Ethoxy-3-propan-2-ylsulfanylprop-1-ene
CID 88234605
1-Prop-2-enylsulfanyl-1-(1-prop-2-enylsulfanylpropoxy)propane
CID 88441777
1-Prop-2-enylsulfanyl-3-(3-prop-2-enylsulfanylpropoxy)propane
CID 88441779
2-(2-Propoxyethylsulfanyl)buta-1,3-diene
CID 89189946
5-(2-Methoxyethylsulfanyl)penta-1,3-diene
CID 123949344
5-(2-Methoxyethylsulfanyl)pent-1-ene
CID 127011172
Ethoxyethane;3-(prop-2-enyldisulfanyl)prop-1-ene
CID 134284297
2-(3-Ethoxyprop-2-enylsulfanyl)-2-methylpropane
CID 139682297
4-Prop-2-enyl-1,4-oxathian-4-ium
CID 141652900

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enylsulfanylethoxy)propane?
The IUPAC name of 1-(2-prop-2-enylsulfanylethoxy)propane (CID 12507337) is 1-(2-prop-2-enylsulfanylethoxy)propane.
What is the SMILES notation for 1-(2-prop-2-enylsulfanylethoxy)propane?
The canonical SMILES for 1-(2-prop-2-enylsulfanylethoxy)propane is C=CCSCCOCCC.
What is the InChIKey of 1-(2-prop-2-enylsulfanylethoxy)propane?
The InChIKey is UJNHNKZETVWCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-5-9-6-8-10-7-4-2/h4H,2-3,5-8H2,1H3.
What are the key properties of 1-(2-prop-2-enylsulfanylethoxy)propane?
1-(2-prop-2-enylsulfanylethoxy)propane has a molecular weight of 160.28 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enylsulfanylethoxy)propane is sourced from PubChem (CID 12507337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).