5-(Difluoromethyl)-1,3,4-thiadiazol-2-amine - ≥97% , CAS No.25306-15-4

CAS: 25306-15-4 Cat. No.: T633155 Molecular Weight: 151.14 EC Number: 858-762-2 PubChem CID: 21819089

GRADE & PURITY ≥97%

Synonyms

BS-13070 | Z362636306 | SY176288 | SCHEMBL3786800 | AB01003582-01 | C3H3F2N3S | 5-(difluoromethyl)-1,3,4-thiadiazol-2-amine | AT18930 | DTXSID40618426 | AM806615 | MFCD11193512 | 5-difluoromethyl-1,3,4-thiadiazol-2-amine | EN300-53793 | AKOS009261070 | A8

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

BS-13070 | Z362636306 | SY176288 | SCHEMBL3786800 | AB01003582-01 | C3H3F2N3S | 5-(difluoromethyl)-1, 3, 4-thiadiazol-2-amine | AT18930 | DTXSID40618426 | AM806615 | MFCD11193512 | 5-difluoromethyl-1, 3, 4-thiadiazol-2-amine | EN300-53793 | AKOS009261070 | A8

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light

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(=NN=C(S1)N)C(F)F
• IUPAC Name: 5-(difluoromethyl)-1,3,4-thiadiazol-2-amine
• InChIKey: NBGMELMIAOKZSD-UHFFFAOYSA-N
• INCHI: 1S/C3H3F2N3S/c4-1(5)2-7-8-3(6)9-2/h1H,(H2,6,8)
• Isomeric SMILES: C1(=NN=C(S1)N)C(F)F
• Alternate CAS: 25306-15-4
• PubChem CID: 21819089
• Molecular Weight: 151.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Thiadiazoles
        • Level5 Aminothiadiazoles
          • Level6 2-amino-1,3,4-thiadiazoles
            • Level7 2-amino-5-substituted-1,3,4-thiadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiadiazoles
• Intermediate Tree Nodes: Aminothiadiazoles - 2-amino-1,3,4-thiadiazoles
• Direct Parent: 2-amino-5-substituted-1,3,4-thiadiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-amino-5-substituted-1,3,4-thiadiazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-amino-5-substituted-1,3,4-thiadiazoles. These are thiadiazoles with an amino group attached to the 2-position of a 1,3,4-thiadiazole ring, as well as a substituent at the 5-position.
• 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: Light sensitive
• Molecular Weight: 151.140 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 151.002 Da
• Monoisotopic Mass: 151.002 Da
• Topological Polar Surface Area: 80.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 101.000
• 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