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

CAS: 5351-69-9 Cat. No.: P101898 Summenformel: C₆H₅NHCSNHNH₂ Molekulargewicht: 167.23 Beilstein Registry Number: 608285 EG-Nummer: 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

Store at 2-8°C

Shipped In

Wet ice

Übersicht

4-Phenylthiosemicarbazide was used in the synthesis of amberlite XAD resins. It was also used in the synthesis of a series of thiosemicarbazones.

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508809755

Kanonisches Lächeln

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)

Isomere SMILES

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

WGK Deutschland

3

RTECS

VT4025000

UN-Nummer

2811

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

Aspergillus fumigatus (16427 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cryptococcus neoformans (21258 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Candida albicans (78123 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in Methanol almost transparency
• Schmelzpunkt (°C): 137-141°C
• Molekulargewicht: 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