[1,2,3]Thiadiazole-4-carbonyl chloride - ≥97% , CAS No.4100-17-8

CAS: 4100-17-8 Cat. No.: T345953 Molecular Weight: 148.57 PubChem CID: 6485430

GRADE & PURITY ≥97%

Synonyms

HSDHDEOGCBGOKV-UHFFFAOYSA-N | thiadiazole-4-carbonyl chloride | BBL010219 | [1,2,3]Thiadiazole-4-carbonyl chloride | 1,2,3-thiadiazole-4-carbonyl chloride, AldrichCPR | AKOS005613022 | BB 0218326 | SCHEMBL193314 | DTXSID60424526 | FT-0677887 | STK801499 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

HSDHDEOGCBGOKV-UHFFFAOYSA-N | thiadiazole-4-carbonyl chloride | BBL010219 | [1, 2, 3]Thiadiazole-4-carbonyl chloride | 1, 2, 3-thiadiazole-4-carbonyl chloride, AldrichCPR | AKOS005613022 | BB 0218326 | SCHEMBL193314 | DTXSID60424526 | FT-0677887 | STK801499 |

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Canonical Smiles: C1=C(N=NS1)C(=O)Cl
• IUPAC Name: thiadiazole-4-carbonyl chloride
• InChIKey: HSDHDEOGCBGOKV-UHFFFAOYSA-N
• INCHI: 1S/C3HClN2OS/c4-3(7)2-1-8-6-5-2/h1H
• Isomeric SMILES: C1=C(N=NS1)C(=O)Cl
• PubChem CID: 6485430
• Molecular Weight: 148.57

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiadiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiadiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Acyl chlorides Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiadiazole - Azacycle - Acyl halide - Acyl chloride - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiadiazoles. These are cyclic organic compounds containing a thiadiazole ring, which is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen 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 & air sensitive
• Refractive Index: n20D1.59 (Predicted)
• Boil Point(°C): 223.71° C at 760 mmHg (Predicted)
• Melt Point(°C): 76.85° C (Predicted)
• Molecular Weight: 148.570 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 147.95 Da
• Monoisotopic Mass: 147.95 Da
• Topological Polar Surface Area: 71.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 109.000
• 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