3-(2-methoxyethylsulfanyl)prop-1-ene

C6H12OS — CID 3652516

IUPAC3-(2-methoxyethylsulfanyl)prop-1-ene
SMILESC=CCSCCOC
InChIInChI=1S/C6H12OS/c1-3-5-8-6-4-7-2/h3H,1,4-6H2,2H3
InChIKeyUKCRISYVVHNSIS-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.55
Rot. Bonds5

About 3-(2-methoxyethylsulfanyl)prop-1-ene

3-(2-methoxyethylsulfanyl)prop-1-ene (PubChem CID 3652516) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfanyl)prop-1-ene.

Molecular Properties

Compound Name3-(2-methoxyethylsulfanyl)prop-1-ene
PubChem CID3652516
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name3-(2-methoxyethylsulfanyl)prop-1-ene
SMILESC=CCSCCOC
InChIInChI=1S/C6H12OS/c1-3-5-8-6-4-7-2/h3H,1,4-6H2,2H3
InChIKeyUKCRISYVVHNSIS-UHFFFAOYSA-N
XLogP1.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfanyl)prop-1-ene?
The IUPAC name of 3-(2-methoxyethylsulfanyl)prop-1-ene (CID 3652516) is 3-(2-methoxyethylsulfanyl)prop-1-ene.
What is the SMILES notation for 3-(2-methoxyethylsulfanyl)prop-1-ene?
The canonical SMILES for 3-(2-methoxyethylsulfanyl)prop-1-ene is C=CCSCCOC.
What is the InChIKey of 3-(2-methoxyethylsulfanyl)prop-1-ene?
The InChIKey is UKCRISYVVHNSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-3-5-8-6-4-7-2/h3H,1,4-6H2,2H3.
What are the key properties of 3-(2-methoxyethylsulfanyl)prop-1-ene?
3-(2-methoxyethylsulfanyl)prop-1-ene has a molecular weight of 132.23 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfanyl)prop-1-ene is sourced from PubChem (CID 3652516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).