1-(2-Hydroxyethyl)-1H-tetrazole-5(2H)-thione - ≥95% , CAS No.56610-81-2

CAS: 56610-81-2 Cat. No.: H710650 Molecular Weight: 146.17 EC Number: 611-405-2

GRADE & PURITY ≥95%

Synonyms

1-(2-Hydroxyethyl)-5-mercapto-1,2,3,4-tetrazole | 1-(2-hydroxyethyl)-2H-tetrazole-5-thione | 1-(2-hydroxyethyl)-1H-tetrazole-5-thiol | SCHEMBL27890673 | 1-(2-hydroxyethyl)-5-mercaptotetrazole

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1-(2-Hydroxyethyl)-5-mercapto-1, 2, 3, 4-tetrazole | 1-(2-hydroxyethyl)-2H-tetrazole-5-thione | 1-(2-hydroxyethyl)-1H-tetrazole-5-thiol | SCHEMBL27890673 | 1-(2-hydroxyethyl)-5-mercaptotetrazole

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(CO)N1C(=S)N=NN1
• IUPAC Name: 1-(2-hydroxyethyl)-2H-tetrazole-5-thione
• InChIKey: YKYUEQRWYGVUKB-UHFFFAOYSA-N
• INCHI: 1S/C3H6N4OS/c8-2-1-7-3(9)4-5-6-7/h8H,1-2H2,(H,4,6,9)
• Isomeric SMILES: C(CO)N1C(=S)N=NN1
• Molecular Weight: 146.17

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Tetrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Alkanolamines Primary alcohols Organosulfur compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Tetrazole - Azacycle - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Molecular Weight: 146.170 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 146.026 Da
• Monoisotopic Mass: 146.026 Da
• Topological Polar Surface Area: 92.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 147.000
• 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