Bifenil-4-tiocarbossamide - ≥96% , CAS No.13363-50-3

CAS: 13363-50-3 Cat. No.: B167003 Formula: C₁₃H₁₁NS Peso molecolare: 213.30 Numero EC: 663-465-4

GRADE & PURITY ≥96%

Synonyms

4-Biphenylthioamide, 96% | 4-phenylbenzene-1-carbothioamide | SCHEMBL6697507 | BIPHENYL-4-THIOCARBOXAMIDE | AB11050 | PD021363 | FT-0713762 | DTXSID10578260 | AKOS000131237 | A806656 | BIPHENYL-4-CARBOTHIOAMIDE | MFCD02179225 | [1,1'-Biphenyl]-4-carbothio

Storage

Temperatura ambiente

Shipped In

Normale

Specifications

Sinonimi

4-Biphenylthioamide, 96% | 4-phenylbenzene-1-carbothioamide | SCHEMBL6697507 | BIPHENYL-4-THIOCARBOXAMIDE | AB11050 | PD021363 | FT-0713762 | DTXSID10578260 | AKOS000131237 | A806656 | BIPHENYL-4-CARBOTHIOAMIDE | MFCD02179225 | [1,1'-Biphenyl]-4-carbothio

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Temperatura ambiente

Spedito in

Normale

Purezza

≥96%

Nomi e identificatori

Sorrisi canonici

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=S)N

IUPAC Name

4-phenylbenzenecarbothioamide

InChIKey

HYDDAJTWPBWUOB-UHFFFAOYSA-N

INCHI

1S/C13H11NS/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,14,15)

Isomeri SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=S)N

WGK Germania

2

Peso molecolare

213.30

Reaxy-Rn

1102693

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1102693&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Thioamides Thiocarboxylic acid amides Thiocarbonyl compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

• Sensibilità: light & Moisture sensitive
• Punto di fusione (°C): 227-232 °C
• Peso molecolare: 213.300 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 213.061 Da
• Monoisotopic Mass: 213.061 Da
• Topological Polar Surface Area: 58.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 213.000
• 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 ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 13363-50-3, the molecular formula is C13H11NS, and the molecular weight is 213.30 g/mol. InChIKey HYDDAJTWPBWUOB-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.