1-Acetyl-3-thiosemicarbazide - ≥95% , CAS No.2302-88-7

CAS: 2302-88-7 Cat. No.: A339685 Formule: C₃H₇N₃OS Poids moléculaire: 133.17 Numéro CE: 218-956-4

GRADE & PURITY ≥95%

Synonyms

1-Acetylthiosemicarbazide | acetamidothiourea | NSIMQTOXNOFWBP-UHFFFAOYSA- | C3H7N3OS | NSC 202518 | NSC202518 | NSC-202518 | AB01319949-02 | SCHEMBL764265 | AKOS008967348 | SB85978 | 1-Acetyl-3-thiosemicarbazide, 95% | MFCD00004932 | Acetylthiosemicarbaz

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonymes

1-Acetylthiosemicarbazide | acetamidothiourea | NSIMQTOXNOFWBP-UHFFFAOYSA- | C3H7N3OS | NSC 202518 | NSC202518 | NSC-202518 | AB01319949-02 | SCHEMBL764265 | AKOS008967348 | SB85978 | 1-Acetyl-3-thiosemicarbazide, 95% | MFCD00004932 | Acetylthiosemicarbaz

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: CC(=O)NNC(=S)N
• IUPAC Name: acetamidothiourea
• InChIKey: NSIMQTOXNOFWBP-UHFFFAOYSA-N
• INCHI: 1S/C3H7N3OS/c1-2(7)5-6-3(4)8/h1H3,(H,5,7)(H3,4,6,8)
• Isomères SMILES: CC(=O)NNC(=S)N
• Numéro ONU: 2811
• Groupe d'emballage: III
• Poids moléculaire: 133.17
• Reaxy-Rn: 1099280
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099280&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Hydrazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Hydrazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiosemicarbazides
• Alternative Parents: Acetamides Carboxylic acid hydrazides Organosulfur compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetamide - Thiosemicarbazide - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as thiosemicarbazides. These are compounds containing a derivative of thiosemicarbazide with the general structure R1N(R2)N(R3)C(=S)N(R4)R5 (R1-R5=H, alkyl, aryl) where the ketone group has carbonyl group has been replaced with a thiocarbonyl 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water (partly).
• Sensibilité: Light sensitive
• Indice de réfraction: n20D1.59 (Predicted)
• Point d'ébullition (°C): 323.75° C (Predicted)
• Point de fusion (°C): 165-168° C
• Poids moléculaire: 133.180 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 133.031 Da
• Monoisotopic Mass: 133.031 Da
• Topological Polar Surface Area: 99.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 113.000
• 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