AG00157W

Name: 4-Bromo-2-mercapto-6-(trifluoromethoxy)benzothiazole
Brand: Angene Chemical
SKU: AG00157W

1215206-47-5 | 4-Bromo-2-mercapto-6-(trifluoromethoxy)benzothiazole

AG00157W

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CAS Number	1215206-47-5
Catalog Number	AG00157W(AGN-PC-0WAA2O)
Chemical Name	4-Bromo-2-mercapto-6-(trifluoromethoxy)benzothiazole
IUPAC Name	4-bromo-6-(trifluoromethoxy)-3H-1,3-benzothiazole-2-thione
InChI	InChI=1S/C8H3BrF3NOS2/c9-4-1-3(14-8(10,11)12)2-5-6(4)13-7(15)16-5/h1-2H,(H,13,15)
InChI Key	JQMOBYLYYWNJBN-UHFFFAOYSA-N
MDL Number	MFCD13195780
Molecular Formula	C8H3BrF3NOS2
Molecular Weight	330.1447
SMILES	BrC1=CC(=CC2=C1N=C(S2)S)OC(F)(F)F
Synonyms	1215206-47-5, 4-Bromo-6-(trifluoromethoxy)benzo[d]thiazole-2-thiol, 4-BROMO-2-MERCAPTO-6-(TRIFLUOROMETHOXY)BENZOTHIAZOLE, ACMC-209adl, C8H3BrF3NOS2, CTK4B2481, DTXSID90682410, ANW-17719, MFCD13195780, ZINC40456707, AKOS015835453, AX8251593, TR-034604, CS-0083375, Z8400, A-5485, I01-11063, 2(3H)-Benzothiazolethione, 4-bromo-6-(trifluoromethoxy)-, 4-Bromo-6-(trifluoromethoxy)benzo[d]thiazole-2(3H)-thione, 4-Bromo-6-(trifluoromethoxy)-1,3-benzothiazole-2(3H)-thione, JQMOBYLYYWNJBN-UHFFFAOYSA-N,

Complexity	302
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	328.879g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	330.137g/mol
Monoisotopic Mass	328.879g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

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