AG001TSD

16311-69-6 | Thiazolium, 5-(2-hydroxyethyl)-3,4-dimethyl-, iodide (1:1)

AG001TSD

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CAS Number	16311-69-6
Catalog Number	AG001TSD(AGN-PC-0MUCWP)
Chemical Name	Thiazolium, 5-(2-hydroxyethyl)-3,4-dimethyl-, iodide (1:1)
EC Number	240-394-3
IUPAC Name	2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethanol;iodide
InChI	InChI=1S/C7H12NOS.HI/c1-6-7(3-4-9)10-5-8(6)2;/h5,9H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key	GDNOYVMHHMSZJV-UHFFFAOYSA-M
MDL Number	MFCD00011958
Molecular Formula	C7H12INOS
Molecular Weight	285.1457
SMILES	Cc1c(CCO)sc[n+]1C.[I-]
Synonyms	16311-69-6, 5-(2-Hydroxyethyl)-3,4-dimethylthiazol-3-ium iodide, 5-(2-Hydroxyethyl)-3,4-dimethylthiazolium iodide, 3,4-Dimethyl-5-(2-hydroxyethyl)thiazolium iodide, CHEMBL3275136, 5-(2-hydroxyethyl)-3,4-dimethyl-1,3-thiazol-3-ium iodide, 2-(3,4-dimethyl-1,3-thiazol-5-yl)ethan-1-ol, iodide, EINECS 240-394-3, SCHEMBL926371, CTK4D1430, KS-00000NDR, GDNOYVMHHMSZJV-UHFFFAOYSA-M, BDBM50016812, MFCD00011958, SBB057785, AKOS015916266, MCULE-6073739975, AK391316, DS-13019, FT-0702091, ST51006985, 3,4-dimethyl-5-(2hydroxyethyl)thiazolium iodide, C-45751, 3,4-dimethyl-5-(2'-hydroxyethyl) thiazolium iodide, 3,4-dimethyl-5-(2-hydroxyethyl)-thiazolium iodide, J-010004, I14-49549, 3-methyl-5-(2-hydroxyethyl)-4-methylthiazolium iodide, 5-(2-Hydroxyethyl)-3,4-dimethylthiazolium iodide, 98%, 2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethanol;iodide, Thiazolium, 5-(2-hydroxyethyl)-3,4-dimethyl-, iodide (1:1), Thiazolium,5-(2-hydroxyethyl)-3,4-dimethyl-, iodide (1:1), C7H12NOS.I, C7-H12-N-O-S.I, CID9838770, 2-(3,4-dimethyl-1,3-thiazol-5-yl)ethanol Iodide, 2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethanol,iodide,

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	284.968g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	285.143g/mol
Monoisotopic Mass	284.968g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.4A^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

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