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

C6H12OS — CID 71371886

IUPAC1-(2-methoxyethylsulfanyl)prop-1-ene
SMILESCC=CSCCOC
InChIInChI=1S/C6H12OS/c1-3-5-8-6-4-7-2/h3,5H,4,6H2,1-2H3
InChIKeyFMRRBHOYOPTKLD-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.90
Rot. Bonds4

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

1-(2-methoxyethylsulfanyl)prop-1-ene (PubChem CID 71371886) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfanyl)prop-1-ene.

Molecular Properties

Compound Name1-(2-methoxyethylsulfanyl)prop-1-ene
PubChem CID71371886
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name1-(2-methoxyethylsulfanyl)prop-1-ene
SMILESCC=CSCCOC
InChIInChI=1S/C6H12OS/c1-3-5-8-6-4-7-2/h3,5H,4,6H2,1-2H3
InChIKeyFMRRBHOYOPTKLD-UHFFFAOYSA-N
XLogP1.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfanyl)prop-1-ene?
The IUPAC name of 1-(2-methoxyethylsulfanyl)prop-1-ene (CID 71371886) is 1-(2-methoxyethylsulfanyl)prop-1-ene.
What is the SMILES notation for 1-(2-methoxyethylsulfanyl)prop-1-ene?
The canonical SMILES for 1-(2-methoxyethylsulfanyl)prop-1-ene is CC=CSCCOC.
What is the InChIKey of 1-(2-methoxyethylsulfanyl)prop-1-ene?
The InChIKey is FMRRBHOYOPTKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-3-5-8-6-4-7-2/h3,5H,4,6H2,1-2H3.
What are the key properties of 1-(2-methoxyethylsulfanyl)prop-1-ene?
1-(2-methoxyethylsulfanyl)prop-1-ene has a molecular weight of 132.23 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfanyl)prop-1-ene is sourced from PubChem (CID 71371886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).