AG00E9HD

6050-81-3 | ACETYLTHIOCHOLINE CHLORIDE

AG00E9HD

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CAS Number	6050-81-3
Catalog Number	AG00E9HD(AGN-PC-0JKGGN)
Chemical Name	ACETYLTHIOCHOLINE CHLORIDE
EC Number	227-953-7
IUPAC Name	2-acetylsulfanylethyl(trimethyl)azanium;chloride
InChI	InChI=1S/C7H16NOS.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChI Key	GZYVLKKMMDFCKR-UHFFFAOYSA-M
MDL Number	MFCD00038727
Molecular Formula	C7H16ClNOS
Molecular Weight	197.7260
SMILES	[Cl-].C(C)(=O)SCC[N+](C)(C)C
Synonyms	Acetylthiocholine chloride, 6050-81-3, 2-(Acetylthio)-N,N,N-trimethylethanaminium chloride, EINECS 227-953-7, (2-Mercaptoethyl)trimethylammonium chloride acetate, 2-Acetylthioethyltrimethylammonium chloride, (2-Acetylthio)-N,N,N-trimethylethanaminum chloride, Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, chloride, AMMONIUM, (2-MERCAPTOETHYL)TRIMETHYL-, CHLORIDE, ACETATE, A-1680, s-Acetylthiocholine chloride, Acetylthiocholinechloride, C7H16NOS.Cl, AC1L2KCQ, MLS001056723, SCHEMBL1276372, CHEMBL1256181, CTK5B1604, HMS2233H15, HMS3260K17, HMS3371D04, Tox21_500058, 7815AF, FCH831858, MFCD00038727, AKOS006230681, CCG-221362, LP00058, NCGC00093572-01, NCGC00260743-01, LS-18622, SMR000326680, DB-053634, TR-020887, EU-0100058, FT-0635956, 2-acetylsulfanylethyl(trimethyl)azanium chloride, 2-acetylsulfanylethyl(trimethyl)azanium,chloride, A 5626, [2-(acetylsulfanyl)ethyl]trimethylazanium chloride, C-50688, SR-01000075669, SR-01000075669-1, I14-19316, Ethanaminium,2-(acetylthio)-N,N,N-trimethyl-, chloride (1:1), C7-H16-N-O-S.Cl, CID22411,

Complexity	117
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.064g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	197.721g/mol
Monoisotopic Mass	197.064g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H318
Packing Group
Precautionary statements	P280-P305+P351+P338+P310
UN Code

Certificate of Analysis

Lot Number