but-2-yne;methylsulfanyloxymethane

C6H12OS — CID 91245975

IUPACbut-2-yne;methylsulfanyloxymethane
SMILESCC#CC.COSC
InChIInChI=1S/C4H6.C2H6OS/c2*1-3-4-2/h2*1-2H3
InChIKeyVLZORPHFQNOBIZ-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.94
Rot. Bonds1

About but-2-yne;methylsulfanyloxymethane

but-2-yne;methylsulfanyloxymethane (PubChem CID 91245975) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is but-2-yne;methylsulfanyloxymethane.

Molecular Properties

Compound Namebut-2-yne;methylsulfanyloxymethane
PubChem CID91245975
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Namebut-2-yne;methylsulfanyloxymethane
SMILESCC#CC.COSC
InChIInChI=1S/C4H6.C2H6OS/c2*1-3-4-2/h2*1-2H3
InChIKeyVLZORPHFQNOBIZ-UHFFFAOYSA-N
XLogP1.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

but-2-yne;methane
CID 165057391
but-2-yne;dihydrochloride
CID 139998680
but-2-yne;ethane
CID 144521092
tris(but-2-yne);methane;heptadecakis(vanadium)
CID 160682920
ethane;methanesulfonamide;methyl methanesulfonate;methylsulfanyloxymethane
CID 91045448
but-2-yne;bis(prop-1-yne)
CID 159474531
1-oxidooxyprop-1-yne
CID 171763924
CID 102374318
CID 102374318
methoxysulfanylsilane
CID 154213934
but-2-yne;ethane;2-methylpropane
CID 144864902
but-2-yne;1-methoxypropane;molecular hydrogen;hydrate
CID 159701527
1-methylsulfanylbut-2-yne
CID 14338941

Frequently Asked Questions

What is the IUPAC name of but-2-yne;methylsulfanyloxymethane?
The IUPAC name of but-2-yne;methylsulfanyloxymethane (CID 91245975) is but-2-yne;methylsulfanyloxymethane.
What is the SMILES notation for but-2-yne;methylsulfanyloxymethane?
The canonical SMILES for but-2-yne;methylsulfanyloxymethane is CC#CC.COSC.
What is the InChIKey of but-2-yne;methylsulfanyloxymethane?
The InChIKey is VLZORPHFQNOBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.C2H6OS/c2*1-3-4-2/h2*1-2H3.
What are the key properties of but-2-yne;methylsulfanyloxymethane?
but-2-yne;methylsulfanyloxymethane has a molecular weight of 132.23 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;methylsulfanyloxymethane is sourced from PubChem (CID 91245975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).