2,2'-Dithiobis[2-methyl-1-propanol] - CAS 132182-01-5

Catalog:	BB066656
Product Name:	2,2'-Dithiobis[2-methyl-1-propanol]
CAS:	132182-01-5
Synonyms:	2,2'-Disulfanediylbis(2-methylpropan-1-ol)

Technical Data

IUPAC Name:	2-[(1-hydroxy-2-methylpropan-2-yl)disulfanyl]-2-methylpropan-1-ol
Description:	2,2'-Dithiobis[2-methyl-1-propanol] 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:	210.36
Molecular Formula:	C8H18O2S2
Canonical SMILES:	CC(C)(CO)SSC(C)(C)CO
InChI:	InChI=1S/C8H18O2S2/c1-7(2,5-9)11-12-8(3,4)6-10/h9-10H,5-6H2,1-4H3
InChI Key:	RKIUKWLUGAFWFQ-UHFFFAOYSA-N
Melting Point:	52-54°C
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	Refrigerator
References:	Sun, X. et al. Nano Res., 1, 203 (2008); Lee, E. et al. Nano Lett., 5, 325 (2005).

Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.07482216
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	210.07482216
Rotatable Bond Count:	5
Topological Polar Surface Area:	91.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8