1-ethenylsulfanyl-2-methoxyethane

C5H10OS — CID 15908675

IUPAC1-ethenylsulfanyl-2-methoxyethane
SMILESC=CSCCOC
InChIInChI=1S/C5H10OS/c1-3-7-5-4-6-2/h3H,1,4-5H2,2H3
InChIKeyRQDXXJQHPXSCKD-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.51
Rot. Bonds4

About 1-ethenylsulfanyl-2-methoxyethane

1-ethenylsulfanyl-2-methoxyethane (PubChem CID 15908675) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 1-ethenylsulfanyl-2-methoxyethane.

Molecular Properties

Compound Name1-ethenylsulfanyl-2-methoxyethane
PubChem CID15908675
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name1-ethenylsulfanyl-2-methoxyethane
SMILESC=CSCCOC
InChIInChI=1S/C5H10OS/c1-3-7-5-4-6-2/h3H,1,4-5H2,2H3
InChIKeyRQDXXJQHPXSCKD-UHFFFAOYSA-N
XLogP1.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.51
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-ethenylsulfanyl-2-methoxyethane?
The IUPAC name of 1-ethenylsulfanyl-2-methoxyethane (CID 15908675) is 1-ethenylsulfanyl-2-methoxyethane.
What is the SMILES notation for 1-ethenylsulfanyl-2-methoxyethane?
The canonical SMILES for 1-ethenylsulfanyl-2-methoxyethane is C=CSCCOC.
What is the InChIKey of 1-ethenylsulfanyl-2-methoxyethane?
The InChIKey is RQDXXJQHPXSCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-3-7-5-4-6-2/h3H,1,4-5H2,2H3.
What are the key properties of 1-ethenylsulfanyl-2-methoxyethane?
1-ethenylsulfanyl-2-methoxyethane has a molecular weight of 118.20 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfanyl-2-methoxyethane is sourced from PubChem (CID 15908675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).