(tripropyl-λ4-sulfanyl) acetate

C11H24O2S — CID 140685891

IUPAC(tripropyl-λ4-sulfanyl) acetate
SMILESCCCS(CCC)(CCC)OC(C)=O
InChIInChI=1S/C11H24O2S/c1-5-8-14(9-6-2,10-7-3)13-11(4)12/h5-10H2,1-4H3
InChIKeyKLWXVTHLFNBOQK-UHFFFAOYSA-N
MW220.38 g/mol
LogP3.50
Rot. Bonds7

About (tripropyl-λ4-sulfanyl) acetate

(tripropyl-λ4-sulfanyl) acetate (PubChem CID 140685891) has the molecular formula C11H24O2S and a molecular weight of 220.38 g/mol. Its IUPAC name is (tripropyl-λ4-sulfanyl) acetate.

Molecular Properties

Compound Name(tripropyl-λ4-sulfanyl) acetate
PubChem CID140685891
Molecular FormulaC11H24O2S
Molecular Weight220.38 g/mol
Exact Mass220.15
IUPAC Name(tripropyl-λ4-sulfanyl) acetate
SMILESCCCS(CCC)(CCC)OC(C)=O
InChIInChI=1S/C11H24O2S/c1-5-8-14(9-6-2,10-7-3)13-11(4)12/h5-10H2,1-4H3
InChIKeyKLWXVTHLFNBOQK-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[dimethyl(octyl)-λ4-sulfanyl] acetate
CID 156754530
sodium;dodecylsulfonyl acetate;hydride
CID 173360678
acetic acid;propylsulfonyl propane-1-sulfonate
CID 146345923
2-acetyloxysulfonylethanesulfonic acid
CID 174889510
propyl ethaneperoxoate
CID 160583975
(trifluoro-λ4-sulfanyl) acetate
CID 87285354
amino acetate;butane
CID 90344227
sodium;3-(tripropyl-λ4-sulfanyl)oxycarbonylbenzoic acid;hydroxide
CID 140685993
bis(acetyloxysulfonyl) butanedioate
CID 118268236
sodium;hydride;sulfo acetate
CID 173308098
propyl acetate;hydrate
CID 122690555
ethaneperoxoic acid;octane
CID 87879495

Frequently Asked Questions

What is the IUPAC name of (tripropyl-λ4-sulfanyl) acetate?
The IUPAC name of (tripropyl-λ4-sulfanyl) acetate (CID 140685891) is (tripropyl-λ4-sulfanyl) acetate.
What is the SMILES notation for (tripropyl-λ4-sulfanyl) acetate?
The canonical SMILES for (tripropyl-λ4-sulfanyl) acetate is CCCS(CCC)(CCC)OC(C)=O.
What is the InChIKey of (tripropyl-λ4-sulfanyl) acetate?
The InChIKey is KLWXVTHLFNBOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2S/c1-5-8-14(9-6-2,10-7-3)13-11(4)12/h5-10H2,1-4H3.
What are the key properties of (tripropyl-λ4-sulfanyl) acetate?
(tripropyl-λ4-sulfanyl) acetate has a molecular weight of 220.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (tripropyl-λ4-sulfanyl) acetate is sourced from PubChem (CID 140685891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).