CAS 1005-56-7

phenyl thioxochloroformate

Description:

Phenyl thioxochloroformate, with the CAS number 1005-56-7, is an organic compound characterized by its functional groups, including a thioester and a chloroformate. It typically appears as a colorless to pale yellow liquid and has a distinctive odor. This compound is known for its reactivity, particularly in nucleophilic substitution reactions, where it can act as a reagent for the introduction of phenyl and thioester functionalities into various organic molecules. Its structure features a phenyl group attached to a thioxo group (a sulfur atom double-bonded to a carbon atom) and a chloroformate moiety, which contributes to its electrophilic nature. Due to the presence of chlorine, it can also participate in reactions that involve the release of chloride ions. Safety precautions are essential when handling this compound, as it may be harmful if inhaled or absorbed through the skin, and it can cause irritation to the eyes and respiratory system. Proper storage and handling in a well-ventilated area are recommended to mitigate potential hazards.

Formula: C₇H₅ClOS

InChI: InChI=1S/C7H5ClOS/c8-7(10)9-6-4-2-1-3-5-6/h1-5H

InChI key: InChIKey=KOSYAAIZOGNATQ-UHFFFAOYSA-N

SMILES: O(C(Cl)=S)C1=CC=CC=C1

Synonyms:

• Carbonochloridothioic acid, O-phenyl ester
• Formic acid, chlorothio-, O-phenyl ester
• NSC 99103
• O-Phenyl chlorothiocarbonate
• O-Phenyl chlorothioformate
• O-Phenyl chlorothionoformate
• O-phenyl carbonochloridothioate
• Phenoxythiocarbonyl chloride
• Phenyl chloromethanethioate
• Phenyl chlorothiocarbonate
• Phenyl chlorothionocarbonate
• Phenyl chlorothionoformate
• Phenyl thiochloroformate

Phenyl Chlorothionoformate

CAS: 1005-56-7

Formula: C₇H₅ClOS

Purity: >98.0%(GC)(T)

Color and Shape: Light yellow to Amber to Dark green clear liquid

Molecular weight: 172.63

Ref: 3B-P1236

Phenyl chlorothionoformate, 98+%

CAS: 1005-56-7

Phenyl chlorothionoformate has been used in stereo directed synthesis of optically active, (-)-mintlactone, synthesis of peptide -thioesters having a variety of C-terminal amino acids, synthesis of scyllo-inositol derivatives, thionocarbonylation of unprotected thymine nucleosides, preparation of ph

Formula: C₇H₅ClOS

Purity: 98+%

Color and Shape: Liquid, Clear yellow

Molecular weight: 172.63

Ref: 02-L00838

Carbonochloridothioic acid, O-phenyl ester

CAS: 1005-56-7

Formula: C₇H₅ClOS

Purity: 97%

Color and Shape: Liquid

Molecular weight: 172.6320

Ref: IN-DA00025J

Phenyl chlorothionocarbonate

CAS: 1005-56-7

Phenyl chlorothionocarbonate

Purity: 99%

Molecular weight: 172.63g/mol

Ref: 54-OR931661

2-Phenyl chlorothionoformate

CAS: 1005-56-7

Formula: C₇H₅ClOS

Purity: 95%

Color and Shape: Clear

Molecular weight: 172.63

Ref: 10-F046963

Phenyl Chlorothionoformate

Controlled Product

CAS: 1005-56-7

Applications Phenyl Chlorothionoformate is used in the preparation of an bicyclic thymidine analogs as selective inhibitors of Thymidine monophosphate kinase Mycobacterium tuberculosis (TMPKmt).
References Vanheusden, V. et al.: J. Med. Chem., 47, 6187 (2004);

Formula: C₇H₅ClOS

Color and Shape: Neat

Molecular weight: 172.63

Ref: TR-P319650