Ethyl Chlorosulfinate (>90%) - CAS 6378-11-6

Catalog:	BB065685
Product Name:	Ethyl Chlorosulfinate (>90%)
CAS:	6378-11-6
Synonyms:	Ethyl Chlorosulfite; Chlorosulfurous Acid, Ethyl Ester

Technical Data

IUPAC Name:	chlorosulfinyloxyethane
Description:	Ethyl chlorosulfinate is synthesized from Thionyl Chloride (T367750), which is an inorganic compound used as a chemical reagent in chlorination reactions. Used in the production of biological agents including insecticides and pesticides. Also used in the preparation of pharmaceutical agents, such as CFTR potentiators, commonly used in the treatment of cyctic fibrocis.
Molecular Weight:	128.58
Molecular Formula:	C2H5ClO2S
Canonical SMILES:	CCOS(=O)Cl
InChI:	InChI=1S/C2H5ClO2S/c1-2-5-6(3)4/h2H2,1H3
InChI Key:	DNTYXOAEBUZAJC-UHFFFAOYSA-N
Solubility:	Chloroform (Sparingly), Ethyl Acetate (Slightly)
Appearance:	Colourless to Pale Yellow Oil
Storage:	4°C, Hygroscopic
References:	Chen, N. et al. J. Agri. Food CHem., 63, 1360 (2015); Jones, A. et al. Drugs, 69,1903 (2009).

Complexity:	55.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.9698783
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	127.9698783
Rotatable Bond Count:	2
Topological Polar Surface Area:	45.5Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2