4-Cyanophenylthiourea - ≥95% , CAS No.3460-55-7

CAS: 3460-55-7 Cat. No.: C183883 Summenformel: C₈H₇N₃S Molekulargewicht: 177.2 EG-Nummer: 624-442-4

GRADE & PURITY ≥95%

Synonyms

N-(4-cyanophenyl)thiourea | SCHEMBL1884691 | AKOS005207158 | 4-BENZYLOXY-5-BROMO-2-(4-METHYLPIPERAZIN-1-YL)-PYRIMIDINE | MFCD00041175 | 1-(4-Cyanophenyl)-2-thiourea | 1-(4-cyanophenyl)thiourea | A822321 | J-019677 | EN300-61169 | (4-Cyanophenyl)thiourea |

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyme

N-(4-cyanophenyl)thiourea | SCHEMBL1884691 | AKOS005207158 | 4-BENZYLOXY-5-BROMO-2-(4-METHYLPIPERAZIN-1-YL)-PYRIMIDINE | MFCD00041175 | 1-(4-Cyanophenyl)-2-thiourea | 1-(4-cyanophenyl)thiourea | A822321 | J-019677 | EN300-61169 | (4-Cyanophenyl)thiourea |

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC(=CC=C1C#N)NC(=S)N
• IUPAC Name: (4-cyanophenyl)thiourea
• InChIKey: LFMJROANUIRGBS-UHFFFAOYSA-N
• INCHI: 1S/C8H7N3S/c9-5-6-1-3-7(4-2-6)11-8(10)12/h1-4H,(H3,10,11,12)
• Isomere SMILES: C1=CC(=CC=C1C#N)NC(=S)N
• WGK Deutschland: 3
• Molekulargewicht: 177.2
• Reaxy-Rn: 2718720
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2718720&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass N-phenylthioureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: N-phenylthioureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylthioureas
• Alternative Parents: Benzonitriles Thioureas Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylthiourea - Benzonitrile - Thiourea - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
• 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

• Empfindlichkeit: Light sensitive
• Schmelzpunkt (°C): 201-205 °C
• Molekulargewicht: 177.230 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.036 Da
• Monoisotopic Mass: 177.036 Da
• Topological Polar Surface Area: 93.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 210.000
• 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 ≥95% 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 3460-55-7, the molecular formula is C8H7N3S, and the molecular weight is 177.2 g/mol. InChIKey LFMJROANUIRGBS-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.