AG0036WN

63208-82-2 | 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone,hydrobromide

AG0036WN

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CAS Number	63208-82-2
Catalog Number	AG0036WN(AGN-PC-0MVUEZ)
Chemical Name	2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone,hydrobromide
IUPAC Name	2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone;hydrobromide
InChI	InChI=1S/C16H18N2OS.BrH/c1-11-6-8-12(9-7-11)14(19)10-18-13-4-2-3-5-15(13)20-16(18)17;/h6-9,17H,2-5,10H2,1H3;1H
InChI Key	HAGVCKULCLQGRF-UHFFFAOYSA-N
MDL Number	MFCD00417851
Molecular Formula	C16H19BrN2OS
Molecular Weight	367.3039
SMILES	CC1=CC=C(C(CN2C(SC3=C2CCCC3)=N)=O)C=C1.[H]Br
UNII	D213B92S1Y
Synonyms	1-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-2-imino-3(2H)- benzothiazolyl)ethanone hydrobromide, 1-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-2-imino-3(2H)-benzothiazolyl)ethanone hydrobromide (1:1), 2-(2-imino-4,5,6,7-tetrahydrobenzothiazol-3-yl)-1-p-tolylethanone, ethanone, 1-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-2-imino-3(2H)-benzothiazolyl)-, hydrobromide (1:1), PFT alpha, pifithrin, pifithrin-alpha, Pifithrin-alpha, 63208-82-2, PFT-alpha, Pifithrin-alpha hydrobromide, pifithrin, UNII-D213B92S1Y, Pifithrin-|A (PFT|A) HBr, PFT|A, Pifithrin-|A (PFT|A), 2-(2-Imino-4,5,6,7-tetrahydrobenzothiazol-3-yl)-1-p-tolylethanone hydrobromide, 2-(2-imino-4,5,6,7-tetrahydrobenzo[d]thiazol-3(2H)-yl)-1-p-tolylethanone hydrobromide, D213B92S1Y, MFCD00417851, 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone,hydrobromide, Pifithrin-, 2-(2-Imino-4,5,6,7-tetrahydrobenzothiazol-3-yl)-1-p-tolylethanone, HBr, 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone;hydrobromide, Pifithrin-alpha [MI], SR-01000597904, Pifithrin-alpha (PFTalpha), PFTalpha, Pifithrin-&alpha, Pifithrin- (pft), PFTalpha hydrobromide, Pifithrin hydrobromide, PFT-a, Pifithrin-a hydrobromide, Pifithrin-? hydrobromide, Pifithrin-_ (PFT_), 206983-57-5, C16H19BrN2OS, Pifithrin-? (hydrobromide), Pifithrin-I+/- hydrobromide, Pifithrin- alpha hydrobromide, 1-(4-Methylphenyl)-2-(4,5,6,7-tetrahydro-2-imino-3(2H)-benzothiazolyl)ethanone hydrobromide (1:1), Pifithrin-alpha (hydrobromide), CHEMBL556353, CTK8G2420, KS-00000TJB, DTXSID10432994, BCP06357, EX-A1162, BS0147, GL2129, s2929, AKOS016032355, CS-1010, AK260629, BC600657, HY-15484, SC-94868, Pifithrin-alpha, >=95% (HPLC), powder, SW219549-1, X5922, W-5107, SR-01000597904-1, SR-01000597904-2, 1-(4-Methylphenyl)-2-(4,5,6,7-tetrahydro-2-imino-3(2H)-benzothiazolyl)ethanone hydrobromide, Pifithrin-AfAE'A centa' notA inverted exclamation markAfasA'A|AfAE'Adaggeratrade mark? (hydrobromide), Pifithrin-|A, Pifithrin-a, PFT alpha, Pifithrin-|A hydrobromide, Pifithrin-|A (hydrobromide), PFT-|A, CID9929138, A4206, A12451, C121565, Ethanone, 1-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-2-imino-3(2H)-benzothiazolyl)-, hydrobromide (1:1), 2-(2-imino-4,5,6,7-tetrahydrobenzothiazol-3-yl)-1-p-tolylethanone, 1-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-2-imino-3(2H)- benzothiazolyl)ethanone hydrobromide, 1-(4-Methylphenyl)-2-(4,5,6,7-tetrahydro-2-imino-3(2H)-benzothiazolyl)ethanone monohydrobromide,

Complexity	449
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	366.04g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	367.305g/mol
Monoisotopic Mass	366.04g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	69.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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