S-Methylisothiosemicarbazide hydroiodide - ≥95% , CAS No.35600-34-1

CAS: 35600-34-1 Cat. No.: S183985 Peso molecular: 233.1 Número EC: 831-444-0 PubChem CID: 6508896

GRADE & PURITY ≥95%

Synonyms

CS-0105940 | SCHEMBL2147185 | Hydrazinecarboximidothioic acid, methyl ester, hydriodide (1:1) | NSC94774 | NSC-94774 | EN300-203193 | S-Methylisothiosemicarbazide hydroiodide | Methyl hydrazinecarboximidothioate--hydrogen iodide (1/1) | DTXSID30956980 | S

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

CS-0105940 | SCHEMBL2147185 | Hydrazinecarboximidothioic acid, methyl ester, hydriodide (1:1) | NSC94774 | NSC-94774 | EN300-203193 | S-Methylisothiosemicarbazide hydroiodide | Methyl hydrazinecarboximidothioate--hydrogen iodide (1/1) | DTXSID30956980 | S

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504764269
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764269
• Sonrisas canónicas: CSC(=NN)N.I
• IUPAC Name: methyl N'-aminocarbamimidothioate;hydroiodide
• InChIKey: NYMQJWVULPQXBK-UHFFFAOYSA-N
• INCHI: 1S/C2H7N3S.HI/c1-6-2(3)5-4;/h4H2,1H3,(H2,3,5);1H
• Isómeros SMILES: CS/C(=N/N)/N.I
• PubChem CID: 6508896
• Peso molecular: 233.1

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Hydrazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrazones
• Alternative Parents: Sulfenyl compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfenyl compound - Hydrazone - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydrazones. These are compounds containing an N-Alkylidene derivative of hydrazine. They have the generic structure RNN=C(R')R\" (R,R',R\"= H or organyl 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

Propiedades químicas y físicas

• Peso molecular: 233.080 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 232.948 Da
• Monoisotopic Mass: 232.948 Da
• Topological Polar Surface Area: 89.700 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 59.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

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