Dimethyl N-Cyanodithiocarbonimidate - ≥90% , CAS No.10191-60-3

CAS: 10191-60-3 Cat. No.: D107976 Formule: C₄H₆N₂S₂ Poids moléculaire: 146.23 Beilstein Registry Number: 635998 Numéro CE: 233-467-6

GRADE & PURITY ≥90%

Synonyms

N-Cyanoimido-s,s-dimethyl-dithiocarbonate,remainder water | Dimethyl cyanoiminodithiocarbonate | Dimethyl cyanimidodithiocarbonate | Imidocarbonic acid, cyanodithio-, dimethyl ester | MFCD00009825 | N-[di(methylthio)methylene]cyanamide | AKOS000280685 | C

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

N-Cyanoimido-s,s-dimethyl-dithiocarbonate,remainder water | Dimethyl cyanoiminodithiocarbonate | Dimethyl cyanimidodithiocarbonate | Imidocarbonic acid, cyanodithio-, dimethyl ester | MFCD00009825 | N-[di(methylthio)methylene]cyanamide | AKOS000280685 | C

Spécifications et pureté

≥90%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥90%

Noms et identifiants

• Pubchem Sid: 528766090
• Sourires canoniques: CSC(=NC#N)SC
• IUPAC Name: bis(methylsulfanyl)methylidenecyanamide
• InChIKey: IULFXBLVJIPESI-UHFFFAOYSA-N
• INCHI: 1S/C4H6N2S2/c1-7-4(8-2)6-3-5/h1-2H3
• Isomères SMILES: CSC(=NC#N)SC
• WGK Allemagne: 3
• Numéro ONU: 1759
• Poids moléculaire: 146.23
• Beilstein: 635998
• Reaxy-Rn: 635998
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635998&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Classe Propargyl-type 1,3-dipolar organic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Classe: Propargyl-type 1,3-dipolar organic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Propargyl-type 1,3-dipolar organic compounds
• Alternative Parents: Sulfenyl compounds Organopnictogen compounds Imines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Imine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as propargyl-type 1,3-dipolar organic compounds. These are organic 1,3-dipolar compounds with the general structure X#N+-Z- <-> X-=N+=Z <-> X-=N-Z+ <-> X-N=Z (X = C or O, Z = C, N, or O).
• 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: Slightly soluble in Methanol
• Sensibilité: Moisture Sensitive
• Point d'éclair (°F): >235.4 °F
• Point d'éclair (°C): >113 °C
• Point de fusion (°C): 45-50°C
• Poids moléculaire: 146.200 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 145.997 Da
• Monoisotopic Mass: 145.997 Da
• Topological Polar Surface Area: 86.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 126.000
• 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