AG00C9FE

Name: 3-Fluoro-4-(trifluoromethyl)benzothioamide
Brand: Angene Chemical
SKU: AG00C9FE

317319-16-7 | 3-Fluoro-4-(trifluoromethyl)benzothioamide

AG00C9FE

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CAS Number	317319-16-7
Catalog Number	AG00C9FE(AGN-PC-03IANV)
Chemical Name	3-Fluoro-4-(trifluoromethyl)benzothioamide
IUPAC Name	3-fluoro-4-(trifluoromethyl)benzenecarbothioamide
InChI	InChI=1S/C8H5F4NS/c9-6-3-4(7(13)14)1-2-5(6)8(10,11)12/h1-3H,(H2,13,14)
InChI Key	MSKNBFPBZIJNML-UHFFFAOYSA-N
MDL Number	MFCD07369414
Molecular Formula	C8H5F4NS
Molecular Weight	223.1906
SMILES	NC(=S)C1=CC(F)=C(C=C1)C(F)(F)F
Synonyms	317319-16-7, 3-Fluoro-4-(trifluoromethyl)benzenecarbothioamide, 3-Fluoro-4-(trifluoromethyl)benzothioamide, 3-Fluoro-4-(trifluoromethyl)benzene-1-carbothioamide, SCHEMBL4822867, CTK1B2673, DTXSID70620779, KS-000026IB, ZINC8730047, ZX-AP011001, ANW-55204, MFCD07369414, PC8589, SBB096471, AKOS005072895, FCH1326937, HA-0801, MCULE-1442560129, RP12890, fluorotrifluoromethylbenzenecarbothioamide, 3-Fluoro-4-(trifluoromethyl)thiobenzamide, AJ-59013, AX8201599, TR-064974, FT-0668738, J-512477, Benzenecarbothioamide, 3-fluoro-4-(trifluoromethyl)-, amino[3-fluoro-4-(trifluoromethyl)phenyl]methane-1-thione,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.008g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	223.189g/mol
Monoisotopic Mass	223.008g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited