2-Aminothiazolinone hydrochloride - ≥98% , CAS No.2192-06-5

CAS: 2192-06-5 Cat. No.: A168665 Molecular Weight: 152.6 EC Number: 606-864-0

GRADE & PURITY ≥98%

Synonyms

2192-06-5|2-Aminothiazol-4(5H)-one hydrochloride|2-Aminothiazolinone hydrochloride|2-Amino-4,5-dihydro-1,3-thiazol-4-one hydrochloride|2-Amino-1,3-thiazol-4(5H)-one hydrochloride|2-Aminothiazolinone HCl|2-amino-1,3-thiazol-4-one;hydrochloride|Pseudothiohy

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

2192-06-5 | 2-Aminothiazol-4(5H)-one hydrochloride | 2-Aminothiazolinone hydrochloride | 2-Amino-4, 5-dihydro-1, 3-thiazol-4-one hydrochloride | 2-Amino-1, 3-thiazol-4(5H)-one hydrochloride | 2-Aminothiazolinone HCl | 2-amino-1, 3-thiazol-4-one;hydrochloride | Pseudothiohy

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504762066
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762066
• Canonical Smiles: C1C(=O)N=C(S1)N.Cl
• IUPAC Name: 2-amino-1,3-thiazol-4-one;hydrochloride
• InChIKey: YBDFGIGPQKUYGW-UHFFFAOYSA-N
• INCHI: 1S/C3H4N2OS.ClH/c4-3-5-2(6)1-7-3;/h1H2,(H2,4,5,6);1H
• Isomeric SMILES: C1C(=O)N=C(S1)N.Cl
• Molecular Weight: 152.6
• Reaxy-Rn: 3693328
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3693328&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolines
      • Subclass Thiazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolines
• Subclass: Thiazolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazolines
• Alternative Parents: N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Meta-thiazoline - Isothiourea - N-acylimine - Carboxylic acid derivative - Carboximidamide - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiazolines. These are heterocyclic compounds containing a five-member unsaturated aliphatic ring with one nitrogen atom, one sulfur atom, three carbon atoms.
• 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: Moisture sensitive.
• Molecular Weight: 152.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 151.981 Da
• Monoisotopic Mass: 151.981 Da
• Topological Polar Surface Area: 80.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 131.000
• 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: 2

XLogP3