1-sulfanyloxybutane

C4H10OS — CID 19906519

IUPAC1-sulfanyloxybutane
SMILESCCCCOS
InChIInChI=1S/C4H10OS/c1-2-3-4-5-6/h6H,2-4H2,1H3
InChIKeyIVSPJKRLTWBHHN-UHFFFAOYSA-N
MW106.19 g/mol
LogP1.65
Rot. Bonds3

About 1-sulfanyloxybutane

1-sulfanyloxybutane (PubChem CID 19906519) has the molecular formula C4H10OS and a molecular weight of 106.19 g/mol. Its IUPAC name is 1-sulfanyloxybutane.

Molecular Properties

Compound Name1-sulfanyloxybutane
PubChem CID19906519
Molecular FormulaC4H10OS
Molecular Weight106.19 g/mol
Exact Mass106.05
IUPAC Name1-sulfanyloxybutane
SMILESCCCCOS
InChIInChI=1S/C4H10OS/c1-2-3-4-5-6/h6H,2-4H2,1H3
InChIKeyIVSPJKRLTWBHHN-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Butyl methyl ether
CID 12338
Sodium n-butylate
CID 23669364
n-Butoxy radical
CID 140467
Fluorobutylate
CID 18429097
Lithium butan-1-olate
CID 23676864
Potassium butoxide
CID 23699084
Butyl hypochlorite
CID 13752033
1-Propoxysulfanyloxypropane
CID 316388
Butan-1-olate
CID 12476378
CID 14381799
CID 14381799
Butoxy iodide
CID 20225440
Butyloxyl bromide
CID 20226739

Frequently Asked Questions

What is the IUPAC name of 1-sulfanyloxybutane?
The IUPAC name of 1-sulfanyloxybutane (CID 19906519) is 1-sulfanyloxybutane.
What is the SMILES notation for 1-sulfanyloxybutane?
The canonical SMILES for 1-sulfanyloxybutane is CCCCOS.
What is the InChIKey of 1-sulfanyloxybutane?
The InChIKey is IVSPJKRLTWBHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS/c1-2-3-4-5-6/h6H,2-4H2,1H3.
What are the key properties of 1-sulfanyloxybutane?
1-sulfanyloxybutane has a molecular weight of 106.19 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanyloxybutane is sourced from PubChem (CID 19906519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).