2-(4-Bromophenyl)ethanethioamide - ≥96% , CAS No.147111-30-6

CAS: 147111-30-6 Cat. No.: B181568 Summenformel: C₈H₈BrNS Molekulargewicht: 230.1 EG-Nummer: 692-320-8

GRADE & PURITY ≥96%

Synonyms

FT-0682751 | 2-(4-BROMOPHENYL)ETHANETHIOAMIDE | DTXSID80513805 | YAXPTWNWOBQNPG-UHFFFAOYSA-N | MFCD09809469 | STL301995 | 2-(4-Bromophenyl)thioacetamide | SB76852 | SCHEMBL10968838 | AKOS000158350 | (4-Bromophenyl)ethanethioamide | EN300-85995 | XFA11130

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

FT-0682751 | 2-(4-BROMOPHENYL)ETHANETHIOAMIDE | DTXSID80513805 | YAXPTWNWOBQNPG-UHFFFAOYSA-N | MFCD09809469 | STL301995 | 2-(4-Bromophenyl)thioacetamide | SB76852 | SCHEMBL10968838 | AKOS000158350 | (4-Bromophenyl)ethanethioamide | EN300-85995 | XFA11130

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC(=CC=C1CC(=S)N)Br
• IUPAC Name: 2-(4-bromophenyl)ethanethioamide
• InChIKey: YAXPTWNWOBQNPG-UHFFFAOYSA-N
• INCHI: 1S/C8H8BrNS/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H2,10,11)
• Isomere SMILES: C1=CC(=CC=C1CC(=S)N)Br
• Molekulargewicht: 230.1
• Reaxy-Rn: 3240690
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3240690&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Thioamides Thiocarboxylic acid amides Thiocarbonyl compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 230.130 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 228.956 Da
• Monoisotopic Mass: 228.956 Da
• Topological Polar Surface Area: 58.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 141.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥96% 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 147111-30-6, the molecular formula is C8H8BrNS, and the molecular weight is 230.1 g/mol. InChIKey YAXPTWNWOBQNPG-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.