3-methoxy-3-methylsulfanylprop-1-ene

C5H10OS — CID 18720097

IUPAC3-methoxy-3-methylsulfanylprop-1-ene
SMILESC=CC(OC)SC
InChIInChI=1S/C5H10OS/c1-4-5(6-2)7-3/h4-5H,1H2,2-3H3
InChIKeySIBDEGNHRYZEBL-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.51
Rot. Bonds3

About 3-methoxy-3-methylsulfanylprop-1-ene

3-methoxy-3-methylsulfanylprop-1-ene (PubChem CID 18720097) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 3-methoxy-3-methylsulfanylprop-1-ene.

Molecular Properties

Compound Name3-methoxy-3-methylsulfanylprop-1-ene
PubChem CID18720097
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name3-methoxy-3-methylsulfanylprop-1-ene
SMILESC=CC(OC)SC
InChIInChI=1S/C5H10OS/c1-4-5(6-2)7-3/h4-5H,1H2,2-3H3
InChIKeySIBDEGNHRYZEBL-UHFFFAOYSA-N
XLogP1.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methylsulfanylprop-1-ene?
The IUPAC name of 3-methoxy-3-methylsulfanylprop-1-ene (CID 18720097) is 3-methoxy-3-methylsulfanylprop-1-ene.
What is the SMILES notation for 3-methoxy-3-methylsulfanylprop-1-ene?
The canonical SMILES for 3-methoxy-3-methylsulfanylprop-1-ene is C=CC(OC)SC.
What is the InChIKey of 3-methoxy-3-methylsulfanylprop-1-ene?
The InChIKey is SIBDEGNHRYZEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-4-5(6-2)7-3/h4-5H,1H2,2-3H3.
What are the key properties of 3-methoxy-3-methylsulfanylprop-1-ene?
3-methoxy-3-methylsulfanylprop-1-ene has a molecular weight of 118.20 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methylsulfanylprop-1-ene is sourced from PubChem (CID 18720097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).