propylsulfonyl formate

C4H8O4S — CID 87151772

IUPACpropylsulfonyl formate
SMILESCCCS(=O)(=O)OC=O
InChIInChI=1S/C4H8O4S/c1-2-3-9(6,7)8-4-5/h4H,2-3H2,1H3
InChIKeyPWROIUAQBFTBAT-UHFFFAOYSA-N
MW152.17 g/mol
LogP-0.10
Rot. Bonds4

About propylsulfonyl formate

propylsulfonyl formate (PubChem CID 87151772) has the molecular formula C4H8O4S and a molecular weight of 152.17 g/mol. Its IUPAC name is propylsulfonyl formate.

Molecular Properties

Compound Namepropylsulfonyl formate
PubChem CID87151772
Molecular FormulaC4H8O4S
Molecular Weight152.17 g/mol
Exact Mass152.01
IUPAC Namepropylsulfonyl formate
SMILESCCCS(=O)(=O)OC=O
InChIInChI=1S/C4H8O4S/c1-2-3-9(6,7)8-4-5/h4H,2-3H2,1H3
InChIKeyPWROIUAQBFTBAT-UHFFFAOYSA-N
XLogP-0.10
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

propylsulfonyl propane-1-sulfonate
CID 11031687
(3-ethoxy-3-ethoxysulfonylpropyl)sulfonyl formate
CID 174790831
[(E)-prop-1-enyl] butane-1-sulfonate
CID 90961411
2-[2-[2-(2-propylsulfonyloxyethoxy)ethoxy]ethoxy]ethyl propane-1-sulfonate
CID 150811403
acetic acid;propylsulfonyl propane-1-sulfonate
CID 146345923
ethenyl hexadecane-1-sulfonate
CID 175557286
hydroxy-oxo-propylsulfonyloxyphosphanium
CID 174575206
sodium;hydride;trimethylsilyl propane-1-sulfonate
CID 173422421
1-propylsulfonylpropane
CID 11709
1-(2-propylsulfonylethenylsulfonyl)propane
CID 14212
octyl propane-1-sulfonate
CID 19702367
2,2,2-trifluoroethyl propane-1-sulfonate
CID 174232866

Frequently Asked Questions

What is the IUPAC name of propylsulfonyl formate?
The IUPAC name of propylsulfonyl formate (CID 87151772) is propylsulfonyl formate.
What is the SMILES notation for propylsulfonyl formate?
The canonical SMILES for propylsulfonyl formate is CCCS(=O)(=O)OC=O.
What is the InChIKey of propylsulfonyl formate?
The InChIKey is PWROIUAQBFTBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4S/c1-2-3-9(6,7)8-4-5/h4H,2-3H2,1H3.
What are the key properties of propylsulfonyl formate?
propylsulfonyl formate has a molecular weight of 152.17 g/mol, XLogP of -0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propylsulfonyl formate is sourced from PubChem (CID 87151772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).