2,2,2-Trifluoroethanethioamide - ≥98% , CAS No.421-52-3

CAS: 421-52-3 Cat. No.: T709197 분자식: C₂H₂F₃NS 분자량: 129.1 EC 번호: 676-337-8 PubChem CID: 4425751

GRADE & PURITY ≥98%

Synonyms

2,2,2-Trifluoroethanethioamide

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

동의어

2,2,2-Trifluoroethanethioamide

사양 및 순도

≥98%

보관 조건

Protected from light,Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

정식 스마일

C(=S)(C(F)(F)F)N

IUPAC Name

2,2,2-trifluoroethanethioamide

InChIKey

VZBAIMIVLDKBTE-UHFFFAOYSA-N

INCHI

1S/C2H2F3NS/c3-2(4,5)1(6)7/h(H2,6,7)

이성체 SMILES

C(=S)(C(F)(F)F)N

PubChem CID

4425751

분자량

129.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • 분류 Thioamides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 분류: Thioamides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioamides
• Alternative Parents: Thiocarboxylic acid amides Thiocarbonyl compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as thioamides. These are organic compounds containing the functional group with the general structure R-CS-NR'R, where R, R', and R are organic groups.
• 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

화학 및 물리적 특성

• 감도: Light sensitive; Air sensitive; Hygroscopic
• 끓는점(°C): 104
• 분자량: 129.110 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 128.986 Da
• Monoisotopic Mass: 128.986 Da
• Topological Polar Surface Area: 58.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 85.400
• 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