AG0033LM

4568-71-2 | 3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride

AG0033LM

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CAS Number	4568-71-2
Catalog Number	AG0033LM(AGN-PC-0KLVN7)
Chemical Name	3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride
EC Number	224-947-6
IUPAC Name	2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;chloride
InChI	InChI=1S/C13H16NOS.ClH/c1-11-13(7-8-15)16-10-14(11)9-12-5-3-2-4-6-12;/h2-6,10,15H,7-9H2,1H3;1H/q+1;/p-1
InChI Key	IWSVLBKHBJGMAA-UHFFFAOYSA-M
MDL Number	MFCD00011959
Molecular Formula	C13H16ClNOS
Molecular Weight	269.7902
NSC Number	172802
SMILES	CC1=C(CCO)SC=[N+]1CC2=CC=CC=C2.[Cl-]
Synonyms	4568-71-2, 3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride, 3-benzyl-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride, 3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride, MFCD00011959, AK167097, Thiazolium, 5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-, chloride, J-640170, 3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride, 98%, 2-[4-methyl-3-benzyl-1,3-thiazol-5-yl]ethan-1-ol, chloride, IWSVLBKHBJGMAA-UHFFFAOYSA-M, ACMC-1AQYN, AC1MD9UN, SCHEMBL21337, CTK3J1185, KS-00000NHO, ACN-S001904, ZX-AT015743, ANW-30341, NSC172802, SBB057783, AKOS001021433, ACM4568712, CS-W012391, MCULE-3704802022, MS-3535, NSC-172802, OR61012, RTC-070605, TRA0068158, BP-12679, TC-070605, FT-0615094, ST50411269, 3-Benzyl-5-(2-hydroxyethyl)thazolium Chloride, 3-benzyl-4-methyl-5-hydroxyethylthiazolium chloride, J-800172, Z56794894, 3-Benzyl-5(2-hydroxyethyl)-4-methylthiazolium chloride, 3-benzyl-5-(2-hydroxyethyl)4-methylthiazolium chloride, 3-benzyl-5-(2- hydroxyethyl)-4-methylthiazolium chloride, 3-benzyl-5-(2-hydroxyethyl)-4-methyl-thiazolium chloride, 5-(2'-hydroxyethyl)-4-methyl-3-benzylthiazolium chloride, 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium chloride, 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol chloride, 3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride, purum, >=99.0% (AT), thiazolium chloride, C13H16NOS.Cl, C13-H16-N-O-S.Cl, EINECS 224-947-6, 2,3,4,5,6-Pentamethylbenzaldehyde, ACN-001904, CID2833352, B1224, 3-Benzyl-5-(hydroxyethyl)-4-methylthiazolium chloride, 2-(3-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol Chloride, 3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride, 98% - 100G 100g, Thiazolium, 5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-, chloride (1:1), 100-58-3,

Complexity	206
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.064g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	269.787g/mol
Monoisotopic Mass	269.064g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
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Certificate of Analysis

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