Diisobutyraldehyde Disulfide (>90%) - CAS 15581-80-3

Catalog:	BB067452
Product Name:	Diisobutyraldehyde Disulfide (>90%)
CAS:	15581-80-3
Synonyms:	2,2,5,5-Tetramethyl-3,4-dithiahexanedial; 2,2'-Dithiobis(2-methylpropanal); 2,2'-Dithiobis(2-methylpropionaldehyde); 2,2'-Dithiobisisobutyraldehyde; 2,2'-Dithiodiisobutyraldehyd; Diisobutyraldehyde Disulfide; Dithiodiisobutyraldehyde; α,α'-Dithiobis(isobutyraldehyde); α,α'-Dithiodiisobutyraldehyde; 2,2'-dithiobis[2-methyl-propionaldehyde]

Technical Data

IUPAC Name:	2-methyl-2-[(2-methyl-1-oxopropan-2-yl)disulfanyl]propanal
Description:	Diisobutyraldehyde Disulfide is an intermediate in the synthesis of 2-Mercapto-2,2-dimethylethanol (M252700). 2-Mercapto-2,2-dimethylethanol is a useful synthetic intermediate and a derivative of 2-Mercaptoethanol (M225480); a compound used in the synthesis of nano-graphene for cellular imaging and drug delivery. 2-Mercaptoethanol is also used in the synthesis of multifunctional polymeric micelles used in specific targeting of tumor disruption.
Molecular Weight:	206.33
Molecular Formula:	C8H14O2S2
Canonical SMILES:	CC(C)(C=O)SSC(C)(C)C=O
InChI:	InChI=1S/C8H14O2S2/c1-7(2,5-9)11-12-8(3,4)6-10/h5-6H,1-4H3
InChI Key:	HNGVMXJRVDXZPD-UHFFFAOYSA-N
Solubility:	DMSO
Appearance:	Light Yellow Oil
Storage:	Refrigerator
References:	Sun, X. et al. Nano Res., 1, 203 (2008); Lee, E. et al. Nano Lett., 5, 325 (2005).

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.04352203
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.04352203
Rotatable Bond Count:	5
Topological Polar Surface Area:	84.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2