Chlorosulfurous acid, ethyl ester

HCID 80784CAS 6378-11-6

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Basic information

Standard SMILES: CCOS(=O)Cl
InChIKey: DNTYXOAEBUZAJC-UHFFFAOYSA-N
Molecular formula: C2H5ClO2S
Average molar mass: 128.58 g/mol
Monoisotopic mass: 127.96987808

Names & identifiers

Preferred name: Chlorosulfurous acid, ethyl ester
IUPAC: chlorosulfinyloxyethane
English name: Chloridosulfurous acid ethyl ester
Molecular formula: C2H5ClO2S
Molecular weight: 128.58

Names & synonyms

6378-11-6Chlorosulfurous acid, ethyl esterDTXSID40884280EINECS 228-948-2RefChem:125523DTXCID901023731chlorosulfinyloxyethaneCHLOROSULFUROUS ACID ETHYL ESTEREthyl Chlorosulfinate (>90per cent)Ethyl chlorosulphiteethyl sulfurochloridoiteethyl chlorosulfite

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Ethyl Chlorosulfinate

Ethyl Chlorosulfinate (>90%)Chloridosulfurous acid ethyl esterSCHEMBL1358063NS00043903

Database identifiers

CAS: 6378-11-6
PubChem CID: 80784
DTXSID: DTXSID40884280
EC Number: 228-948-2
Nikkaji: J206.982B

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 45.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 55.5

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Density: 1.284 · 1.284
refractive index: 1.455 · 1.4550
storage temp.: Hygroscopic, Refrigerator, under inert atmosphere
solubility: Chloroform (Sparingly), Ethyl Acetate (Slightly)
form: Oil
color: Colourless to Pale Yellow
Stability: Moisture Sensitive, Volatile
EPA Substance Registry System: Chlorosulfurous acid, ethyl ester (6378-11-6)
TSCA: TSCA listed

Safety & regulation

Safety data

tsca: TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationChlorosulfurous acid, ethyl ester: INACTIVE

Applications · 1 item

UsesEthyl 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.