2-sulfanyloxybutane

C4H10OS — CID 91502732

IUPAC2-sulfanyloxybutane
SMILESCCC(C)OS
InChIInChI=1S/C4H10OS/c1-3-4(2)5-6/h4,6H,3H2,1-2H3
InChIKeyFQKOWBJXEJMCCT-UHFFFAOYSA-N
MW106.19 g/mol
LogP1.65
Rot. Bonds2

About 2-sulfanyloxybutane

2-sulfanyloxybutane (PubChem CID 91502732) has the molecular formula C4H10OS and a molecular weight of 106.19 g/mol. Its IUPAC name is 2-sulfanyloxybutane.

Molecular Properties

Compound Name2-sulfanyloxybutane
PubChem CID91502732
Molecular FormulaC4H10OS
Molecular Weight106.19 g/mol
Exact Mass106.05
IUPAC Name2-sulfanyloxybutane
SMILESCCC(C)OS
InChIInChI=1S/C4H10OS/c1-3-4(2)5-6/h4,6H,3H2,1-2H3
InChIKeyFQKOWBJXEJMCCT-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-Methoxypropane
CID 11721
2-Methoxybutane
CID 23238
1,2-Diisopropoxydisulfane
CID 11052287
Diisopropyl Sulfite
CID 536816
Sodium butan-2-olate
CID 23663649
2-({[(Propan-2-yl)oxy]sulfanyl}oxy)propane
CID 12497509
Lithium s-butoxide
CID 23689932
Potassium 1-methylpropoxide
CID 23694743
Dimethylgallium isopropoxide
CID 129868720
Isopropyl methyl-d3-ether
CID 141478
Sec-butoxide
CID 3664836
Butan-2-yl hypofluorite
CID 20725353

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyloxybutane?
The IUPAC name of 2-sulfanyloxybutane (CID 91502732) is 2-sulfanyloxybutane.
What is the SMILES notation for 2-sulfanyloxybutane?
The canonical SMILES for 2-sulfanyloxybutane is CCC(C)OS.
What is the InChIKey of 2-sulfanyloxybutane?
The InChIKey is FQKOWBJXEJMCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS/c1-3-4(2)5-6/h4,6H,3H2,1-2H3.
What are the key properties of 2-sulfanyloxybutane?
2-sulfanyloxybutane has a molecular weight of 106.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyloxybutane is sourced from PubChem (CID 91502732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).