Trisulfide Acetyl Ethoxy (Technical Grade) - CAS 61268-23-3

Catalog:	BB056996
Product Name:	Trisulfide Acetyl Ethoxy (Technical Grade)
CAS:	61268-23-3
Synonyms:	1-(Ethoxytrisulfanyl)ethanone

Technical Data

IUPAC Name:	S-(ethoxydisulfanyl) ethanethioate
Description:	Trisulfide Acetyl Ethoxy is an intermediate in the synthesis of (6a,11b,16a,17a)-(6'a,11'b,16'a,17'a)-17,17'-(Trithiodicarbonyl)bis[6,9-difluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)-androsta-1,4-dien-3-one (T886430), which is a Dimerized impurity of Fluticasone propionate (F599500), a antiallergic, anti-asthmatic and anti-inflammatory agent.
Molecular Weight:	184.29
Molecular Formula:	C4H8O2S3
Canonical SMILES:	CCOSSSC(=O)C
InChI:	InChI=1S/C4H8O2S3/c1-3-6-8-9-7-4(2)5/h3H2,1-2H3
InChI Key:	XULNVMVLOAPANJ-UHFFFAOYSA-N
Solubility:	Acetonitrile (Slightly), Chloroform (Sparingly)
Appearance:	Pale Yellow to Yellow Oil
Storage:	-20°C, Inert atmosphere, Light sensitive
References:	Zheng, J., et al. Org. Prep. Proced. Int., 40, 566 (2008); Meltzer, E.O., et al. J. Allergy Clin. Immunol., 86, 221 (1990); Mitchison, H.C., et al. Gut, 32, 260 (1991); Phillipps, G.H., et al. J. Med. Chem., 37, 3717 (1994).

Complexity:	85.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.96864301
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	183.96864301
Rotatable Bond Count:	5
Topological Polar Surface Area:	102Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5