1-ethylphosphanylsulfinyloxypropane

C5H13O2PS — CID 170850973

IUPAC1-ethylphosphanylsulfinyloxypropane
SMILESCCCOS(=O)PCC
InChIInChI=1S/C5H13O2PS/c1-3-5-7-9(6)8-4-2/h8H,3-5H2,1-2H3
InChIKeyMKAWFTPCDZAZSU-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.69
Rot. Bonds5

About 1-ethylphosphanylsulfinyloxypropane

1-ethylphosphanylsulfinyloxypropane (PubChem CID 170850973) has the molecular formula C5H13O2PS and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-ethylphosphanylsulfinyloxypropane.

Molecular Properties

Compound Name1-ethylphosphanylsulfinyloxypropane
PubChem CID170850973
Molecular FormulaC5H13O2PS
Molecular Weight168.20 g/mol
Exact Mass168.04
IUPAC Name1-ethylphosphanylsulfinyloxypropane
SMILESCCCOS(=O)PCC
InChIInChI=1S/C5H13O2PS/c1-3-5-7-9(6)8-4-2/h8H,3-5H2,1-2H3
InChIKeyMKAWFTPCDZAZSU-UHFFFAOYSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl propyl sulfite
CID 134895903
2-methylprop-2-enoic acid;propyl sulfite
CID 174596264
pentadecyl pentyl sulfite
CID 6421054
butyl pentyl sulfite
CID 6420768
pentyl undecyl sulfite
CID 6421050
lithium;dodecyl sulfite;hydride
CID 174417370
butyl tetradecyl sulfite
CID 6420804
1-ethoxysulfonylsulfonyloxypropane
CID 90767531
1-[(sulfinatoamino)methoxy]propane
CID 123513637
nonadecyl hydrogen sulfite
CID 57310669
heptadecyl hydrogen sulfite
CID 57062838
butane;methyl methanesulfonate
CID 174496202

Frequently Asked Questions

What is the IUPAC name of 1-ethylphosphanylsulfinyloxypropane?
The IUPAC name of 1-ethylphosphanylsulfinyloxypropane (CID 170850973) is 1-ethylphosphanylsulfinyloxypropane.
What is the SMILES notation for 1-ethylphosphanylsulfinyloxypropane?
The canonical SMILES for 1-ethylphosphanylsulfinyloxypropane is CCCOS(=O)PCC.
What is the InChIKey of 1-ethylphosphanylsulfinyloxypropane?
The InChIKey is MKAWFTPCDZAZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2PS/c1-3-5-7-9(6)8-4-2/h8H,3-5H2,1-2H3.
What are the key properties of 1-ethylphosphanylsulfinyloxypropane?
1-ethylphosphanylsulfinyloxypropane has a molecular weight of 168.20 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylphosphanylsulfinyloxypropane is sourced from PubChem (CID 170850973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).