4-Phenylthiosemicarbazide - ≥98% , CAS No.5351-69-9

CAS: 5351-69-9 Cat. No.: P101898 Formula: C₆H₅NHCSNHNH₂ Peso molecolare: 167.23 Beilstein Registry Number: 608285 Numero EC: 226-329-1

GRADE & PURITY ≥98%

Synonyms

4-PHENYL,3-THIO-SEMICARBAZIDE | AB01315576-02 | D91931 | N-phenylhydrazinecarbimidothioic acid | 1-azanyl-3-phenyl-thiourea | Semicarbazide, 4-phenyl-3-thio- | 4-Phenylhydrazinethiocarbamide | DTXSID6063808 | doi:10.14272/KKIGUVBJOHCXSP-UHFFFAOYSA-N.1 | N

Storage

Conservare a 2-8°C

Shipped In

Ghiaccio umido

Panoramica

il 4-feniltiosemicarbazide è stato utilizzato nella sintesi di resine XAD amberlite. È stato utilizzato anche nella sintesi di una serie di tiosemicarbazoni.

Specifications

Sinonimi

4-PHENYL,3-THIO-SEMICARBAZIDE | AB01315576-02 | D91931 | N-phenylhydrazinecarbimidothioic acid | 1-azanyl-3-phenyl-thiourea | Semicarbazide, 4-phenyl-3-thio- | 4-Phenylhydrazinethiocarbamide | DTXSID6063808 | doi:10.14272/KKIGUVBJOHCXSP-UHFFFAOYSA-N.1 | N

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C

Spedito in

Ghiaccio umido

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508809755

Sorrisi canonici

C1=CC=C(C=C1)NC(=S)NN

IUPAC Name

1-amino-3-phenylthiourea

InChIKey

KKIGUVBJOHCXSP-UHFFFAOYSA-N

INCHI

1S/C7H9N3S/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11)

Isomeri SMILES

C1=CC=C(C=C1)NC(=S)NN

WGK Germania

3

RTECS

VT4025000

Numero UN

2811

Peso molecolare

167.23

Beilstein

608285

Reaxy-Rn

608285

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608285&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Thiosemicarbazides Organosulfur compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Thiosemicarbazide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Obiettivi associati (non umani)

Aspergillus fumigatus (16427 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility in Methanol almost transparency
• Punto di fusione (°C): 137-141°C
• Peso molecolare: 167.230 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 167.052 Da
• Monoisotopic Mass: 167.052 Da
• Topological Polar Surface Area: 82.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 132.000
• 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