3-Chlorothiobenzamide - ≥98% , CAS No.2548-79-0

CAS: 2548-79-0 Cat. No.: C183186 Formula: C₇H₆ClNS Peso molecolare: 171.65 Numero EC: 674-692-3

QUALITÀ & PUREZZA ≥98%

Synonyms

3-Chlorothiobenzamide|3-chloro-thiobenzamide|3-chlorobenzenecarbothioamide|Benzenecarbothioamide, 3-chloro-|3-chlorobenzene-1-carbothioamide|3-chlorobenzene carbothioamide|m-Chlorothiobenzamide|Benzenecarbothioamide,3-chloro-|3-chlorobenzothioamide

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

3-Chlorothiobenzamide | 3-chloro-thiobenzamide | 3-chlorobenzenecarbothioamide | Benzenecarbothioamide, 3-chloro- | 3-chlorobenzene-1-carbothioamide | 3-chlorobenzene carbothioamide | m-Chlorothiobenzamide | Benzenecarbothioamide,3-chloro- | 3-chlorobenzothioamide

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504760079

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760079

Sorrisi canonici

C1=CC(=CC(=C1)Cl)C(=S)N

IUPAC Name

3-chlorobenzenecarbothioamide

InChIKey

OQEBJXXIPHYYEG-UHFFFAOYSA-N

INCHI

1S/C7H6ClNS/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)

Isomeri SMILES

C1=CC(=CC(=C1)Cl)C(=S)N

Peso molecolare

171.65

Reaxy-Rn

508202

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508202&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Thioamides Thiocarboxylic acid amides Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Punto di fusione (°C): 114-118℃
• Peso molecolare: 171.650 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 170.991 Da
• Monoisotopic Mass: 170.991 Da
• Topological Polar Surface Area: 58.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 138.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2548-79-0, the molecular formula is C7H6ClNS, and the molecular weight is 171.65 g/mol. InChIKey OQEBJXXIPHYYEG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.