AG0033OZ

32446-47-2 | 3-Ethylbenzothiazolium bromide

AG0033OZ

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CAS Number	32446-47-2
Catalog Number	AG0033OZ(AGN-PC-0JNGPZ)
Chemical Name	3-Ethylbenzothiazolium bromide
IUPAC Name	3-ethyl-1,3-benzothiazol-3-ium;bromide
InChI	InChI=1S/C9H10NS.BrH/c1-2-10-7-11-9-6-4-3-5-8(9)10;/h3-7H,2H2,1H3;1H/q+1;/p-1
InChI Key	XBWYYTURPBHPFJ-UHFFFAOYSA-M
MDL Number	MFCD00051852
Molecular Formula	C9H10BrNS
Molecular Weight	244.1514
SMILES	[Br-].C(C)[N+]1=CSC2=C1C=CC=C2
Synonyms	3-Ethylbenzothiazolium Bromide, 32446-47-2, 3-Ethylbenzo[d]thiazol-3-ium bromide, Benzothiazolium, 3-ethyl-, bromide (1:1), Benzothiazolium, 3-ethyl-, bromide, MFCD00051852, 3-ethyl-1,3-benzothiazol-3-ium bromide, 3-ETHYLBENZOTHIAZOLIUMBROMIDE, ACMC-209ht4, AC1L4A9B, SCHEMBL1797564, CTK1C6507, XBWYYTURPBHPFJ-UHFFFAOYSA-M, KS-000011ZH, ANW-27350, AKOS025394627, 3-ethyl-1,3-benzothiazol-3-ium;bromide, DB-068629, TC-116095, E0395, FT-0615663, X3468, I14-105389, C9H10BrNS, 3-ethylbenzothiazole Bromide, CID182081,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.972g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	244.15g/mol
Monoisotopic Mass	242.972g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.1A^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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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