1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol - ≥98% , CAS No.61607-68-9

CAS: 61607-68-9 Cat. No.: D110091 Peso molecular: 173.24 Número EC: 262-868-9

GRADE & PURITY ≥98%

Synonyms

1-[2-(Dimethylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione | 1-(2-Dimethylaminoethyl)-5-mercapto-1,2,3,4-tetrazole | 1-(N,N-Dimethylamino)ethyl-5-mercapto tetrazole | 1-(2-Dimethylaminoethyl)-5-mercaptotetrazole | MTZ 1-(2-Dimethylaminoethyl)-1H-tetrazo

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-[2-(Dimethylamino)ethyl]-1, 2-dihydro-5H-tetrazole-5-thione | 1-(2-Dimethylaminoethyl)-5-mercapto-1, 2, 3, 4-tetrazole | 1-(N, N-Dimethylamino)ethyl-5-mercapto tetrazole | 1-(2-Dimethylaminoethyl)-5-mercaptotetrazole | MTZ 1-(2-Dimethylaminoethyl)-1H-tetrazo

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488194171
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194171
• Sonrisas canónicas: CN(C)CCN1C(=S)N=NN1
• IUPAC Name: 1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione
• InChIKey: ODDAWJGQWOGBCX-UHFFFAOYSA-N
• INCHI: 1S/C5H11N5S/c1-9(2)3-4-10-5(11)6-7-8-10/h3-4H2,1-2H3,(H,6,8,11)
• Isómeros SMILES: CN(C)CCN1C(=S)N=NN1
• WGK Alemania: 3
• Peso molecular: 173.24
• Reaxy-Rn: 61381408
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=61381408&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Tetrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Tetrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrazoles
• Alternative Parents: Heteroaromatic compounds Trialkylamines Azacyclic compounds Organosulfur compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Tetrazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetrazoles. These are organic compounds containing a tetrazole ring, which is a five-member aromatic heterocycle made up of four nitrogen atoms and a one carbon atom.
• 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

• Punto de fusión (°C): 205°C
• Peso molecular: 173.240 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 173.074 Da
• Monoisotopic Mass: 173.074 Da
• Topological Polar Surface Area: 75.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 178.000
• 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