Di-n-octylsulfone

CAT: 0127-OR1053541-01Size: 1 gDry Ice: NoHazardous: No

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CAS Number

7726-20-7

MDL Number

MFCD00039760

Purity

95%

Smiles

O=S(CCCCCCCC)(CCCCCCCC)=O

Chemical Information

Di-n-octyl Sulfone

CAS Number	7726-20-7
PubChem CID	3798558
IUPAC Name	1-octylsulfonyloctane
Molecular Formula	C16H34O2S
Molecular Weight	290.5
XLogP	6.4
Topological Polar Surface Area	42.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Heavy Atom Count	19
Formal Charge	0
Complexity	243

SMILES

CCCCCCCCS(=O)(=O)CCCCCCCC

InChI

InChI=1S/C16H34O2S/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChIKey

TZPCGEVFZZYCIY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7726-20-7

CID: 3798558

Formula: C16H34O2S

MW: 290.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.5
XLogP3	6.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Exact Mass	290.22795150
Monoisotopic Mass	290.22795150
Topological Polar Surface Area	42.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	243
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
478728	CTBS (Di-N-acetylchitobiase, Chitobiase, di-N-acetyl-)
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sc-331511	N, N'-Di-n-butylethylenediamine
sc-269904	N, N-Di-n-butylethylenediamine
sc-269927	N, N'-Di-n-butylurea
sc-236107	N, N-Di-N-hexylaniline
D26580-01	N, N'-Di-n-Hexylethylenediamine
273759-01	N, N-Di-N-propylformamide
sc-269903	N, N-Di-n-butylacetamide
sc-269906	N, N-Di-n-octylaniline