Dodecyl methyl sulfoxide - CAS 3079-30-9

Catalog:	BB020726
Product Name:	Dodecyl methyl sulfoxide
CAS:	3079-30-9
Synonyms:	1-methylsulfinyldodecane

Technical Data

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Computed Properties

IUPAC Name:	1-methylsulfinyldodecane
Description:	Dodecyl methyl sulfoxide (CAS# 3079-30-9) is a useful research chemical compound.
Molecular Weight:	232.43
Molecular Formula:	C13H28OS
Canonical SMILES:	CCCCCCCCCCCCS(=O)C
InChI:	InChI=1S/C13H28OS/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14/h3-13H2,1-2H3
InChI Key:	CJPDBKNETSCHCH-UHFFFAOYSA-N
Boiling Point:	356.1 °C at 760 mmHg
Melting Point:	59-63 °C (lit.)
Purity:	95 %
Density:	0.92 g/cm³
Appearance:	White to yellow powder or crystals
LogP:	5.15150

Publication Number	Title	Priority Date
CN-113456635-A	Ciclopirox olamine cream and preparation method thereof	20210630
CN-113372249-A	Method for catalytic synthesis of n-dodecyl methyl sulfide	20210527
CN-113143851-A	Solvent exchange-based injectable hydrogel and preparation method and application thereof	20210302
CN-211513442-U	N-dodecane splitter	20200806
US-2021292679-A1	Novel 2-in-1 sanitizing and rinse aid compositions employing amine based surfactants in machine warewashing	20200323

PMID	Publication Date	Title	Journal
21421276	20110601	Lipid-like sulfoxides and amine oxides as inhibitors of mast cell activation	European journal of medicinal chemistry

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Complexity:	146
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.18608669
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.18608669
Rotatable Bond Count:	11
Topological Polar Surface Area:	36.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	4.9