4,4-Dimethyl-2-imidazolidinethione - ≥98% , CAS No.6086-42-6

CAS: 6086-42-6 Cat. No.: D154888 Peso molecular: 130.21

GRADE & PURITY ≥98%

Synonyms

DTXSID90209702 | 4,4-Dimethyl-2-imidazolidinethione | 4,4-dimethyl-2-imidazolidine-thione | TXRCQKVSGVJWAW-UHFFFAOYSA- | FT-0692363 | SCHEMBL3524530 | InChI=1/C5H10N2S/c1-5(2)3-6-4(8)7-5/h3H2,1-2H3,(H2,6,7,8) | 4,4-dimethylimidazolidine-2-thione | 4,4-Dim

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID90209702 | 4, 4-Dimethyl-2-imidazolidinethione | 4, 4-dimethyl-2-imidazolidine-thione | TXRCQKVSGVJWAW-UHFFFAOYSA- | FT-0692363 | SCHEMBL3524530 | InChI=1/C5H10N2S/c1-5(2)3-6-4(8)7-5/h3H2, 1-2H3, (H2, 6, 7, 8) | 4, 4-dimethylimidazolidine-2-thione | 4, 4-Dim

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488194196
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194196
• Sonrisas canónicas: CC1(CNC(=S)N1)C
• IUPAC Name: 4,4-dimethylimidazolidine-2-thione
• InChIKey: TXRCQKVSGVJWAW-UHFFFAOYSA-N
• INCHI: 1S/C5H10N2S/c1-5(2)3-6-4(8)7-5/h3H2,1-2H3,(H2,6,7,8)
• Isómeros SMILES: CC1(CNC(=S)N1)C
• RTECS: NI9690000
• Peso molecular: 130.21
• Reaxy-Rn: 742107
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742107&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azolidines
      • Subclass Imidazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazolidines
• Alternative Parents: Thioureas Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Imidazolidine - Thiourea - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidazolidines. These are organic compounds containing an imidazolidine ring, which is a saturated ring (derived from imidazole) with two nitrogen atoms at positions 1 and 3 respectively, and containing only single bonds.
• 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

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 120 °C
• Peso molecular: 130.210 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 130.056 Da
• Monoisotopic Mass: 130.056 Da
• Topological Polar Surface Area: 56.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 120.000
• 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