3-methoxy-1-methylsulfanylprop-1-yne

C5H8OS — CID 11286459

IUPAC3-methoxy-1-methylsulfanylprop-1-yne
SMILESCOCC#CSC
InChIInChI=1S/C5H8OS/c1-6-4-3-5-7-2/h4H2,1-2H3
InChIKeyVEFHDRLCUHVYBX-UHFFFAOYSA-N
MW116.18 g/mol
LogP0.96
Rot. Bonds1

About 3-methoxy-1-methylsulfanylprop-1-yne

3-methoxy-1-methylsulfanylprop-1-yne (PubChem CID 11286459) has the molecular formula C5H8OS and a molecular weight of 116.18 g/mol. Its IUPAC name is 3-methoxy-1-methylsulfanylprop-1-yne.

Molecular Properties

Compound Name3-methoxy-1-methylsulfanylprop-1-yne
PubChem CID11286459
Molecular FormulaC5H8OS
Molecular Weight116.18 g/mol
Exact Mass116.03
IUPAC Name3-methoxy-1-methylsulfanylprop-1-yne
SMILESCOCC#CSC
InChIInChI=1S/C5H8OS/c1-6-4-3-5-7-2/h4H2,1-2H3
InChIKeyVEFHDRLCUHVYBX-UHFFFAOYSA-N
XLogP0.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methylsulfanylprop-1-yne?
The IUPAC name of 3-methoxy-1-methylsulfanylprop-1-yne (CID 11286459) is 3-methoxy-1-methylsulfanylprop-1-yne.
What is the SMILES notation for 3-methoxy-1-methylsulfanylprop-1-yne?
The canonical SMILES for 3-methoxy-1-methylsulfanylprop-1-yne is COCC#CSC.
What is the InChIKey of 3-methoxy-1-methylsulfanylprop-1-yne?
The InChIKey is VEFHDRLCUHVYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-6-4-3-5-7-2/h4H2,1-2H3.
What are the key properties of 3-methoxy-1-methylsulfanylprop-1-yne?
3-methoxy-1-methylsulfanylprop-1-yne has a molecular weight of 116.18 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methylsulfanylprop-1-yne is sourced from PubChem (CID 11286459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).