methoxyethene;methylsulfanylethane

C6H14OS — CID 158727445

IUPACmethoxyethene;methylsulfanylethane
SMILESC=COC.CCSC
InChIInChI=1S/C3H6O.C3H8S/c2*1-3-4-2/h3H,1H2,2H3;3H2,1-2H3
InChIKeyIKRLVXYCMZKSKO-UHFFFAOYSA-N
MW134.24 g/mol
LogP2.15
Rot. Bonds2

About methoxyethene;methylsulfanylethane

methoxyethene;methylsulfanylethane (PubChem CID 158727445) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is methoxyethene;methylsulfanylethane.

Molecular Properties

Compound Namemethoxyethene;methylsulfanylethane
PubChem CID158727445
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Namemethoxyethene;methylsulfanylethane
SMILESC=COC.CCSC
InChIInChI=1S/C3H6O.C3H8S/c2*1-3-4-2/h3H,1H2,2H3;3H2,1-2H3
InChIKeyIKRLVXYCMZKSKO-UHFFFAOYSA-N
XLogP2.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxyethene;methylsulfanylethane?
The IUPAC name of methoxyethene;methylsulfanylethane (CID 158727445) is methoxyethene;methylsulfanylethane.
What is the SMILES notation for methoxyethene;methylsulfanylethane?
The canonical SMILES for methoxyethene;methylsulfanylethane is C=COC.CCSC.
What is the InChIKey of methoxyethene;methylsulfanylethane?
The InChIKey is IKRLVXYCMZKSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C3H8S/c2*1-3-4-2/h3H,1H2,2H3;3H2,1-2H3.
What are the key properties of methoxyethene;methylsulfanylethane?
methoxyethene;methylsulfanylethane has a molecular weight of 134.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethene;methylsulfanylethane is sourced from PubChem (CID 158727445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).