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

COA

Grade & Purity:

≥98%

Cas Number: 421-52-3
Molecular Weight: 129.1
PubChem CID: 4425751

In stock

Item Number

T709197

Grouped product items
SKU	Size	Availability	Price	Qty
T709197-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$616.90
T709197-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,579.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioamides

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	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
Description	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
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

Names and Identifiers

IUPAC Name	2,2,2-trifluoroethanethioamide
INCHI	InChI=1S/C2H2F3NS/c3-2(4,5)1(6)7/h(H2,6,7)
InChIKey	VZBAIMIVLDKBTE-UHFFFAOYSA-N
Smiles	C(=S)(C(F)(F)F)N
Isomeric SMILES	C(=S)(C(F)(F)F)N
PubChem CID	4425751
Molecular Weight	129.1

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	104
Molecular Weight	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 Å²
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

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