CAS No.25025-59-6,S-ACETYLTHIOCHOLINE BROMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	25025-59-6
Name:	S-ACETYLTHIOCHOLINE BROMIDE
Article Data:	4

Formula:	C₇H₁₆BrNOS
Molecular Weight:	242.18
Synonyms:	(2-Mercaptoethyl)trimethylammoniumbromide, acetate (6CI,7CI);Ammonium, (2-mercaptoethyl)trimethyl-, bromide,acetate (8CI);Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, bromide (9CI);Acetic acid, thio-, S-ester with (2-mercaptoethyl)trimethylammonium bromide(8CI);Acetylthiocholine bromide;
EINECS:	246-570-6
Density:	1.3050 (estimate)
Melting Point:	217-223 °C (dec.)(lit.)
Appearance:	white crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26-36
PSA:	42.37000
LogP:	-2.02370

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Specification

The Ethanaminium,2-(acetylthio)-N,N,N-trimethyl-, bromide (1:1) is an organic compound with the formula C₇H₁₆BrNOS. The IUPAC name of this chemical is 2-acetylsulfanylethyl(trimethyl)azanium bromide. With the CAS registry number 25025-59-6, it is also named as (2-Mercaptoethyl)trimethylammonium bromide acetate. The product's category is Substrates. Besides, it should be stored in a closed and dark place.

Physical properties about Ethanaminium,2-(acetylthio)-N,N,N-trimethyl-, bromide (1:1) are: (1)ACD/LogP: -2.67; (2)ACD/LogD (pH 5.5): -2.67; (3)ACD/LogD (pH 7.4): -2.67; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 42.37 Å².

Uses of Ethanaminium,2-(acetylthio)-N,N,N-trimethyl-, bromide (1:1): it can be used to produce (2-mercapto-ethyl)-trimethyl-ammonium; bromide at temperature of 80 °C. It will need reagents 48percent aq. HBr and solvent H₂O with reaction time of 30 min. The yield is about 75%.

Ethanaminium,2-(acetylthio)-N,N,N-trimethyl-, bromide (1:1) can be used to produce (2-mercapto-ethyl)-trimethyl-ammonium; bromide

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].O=C(SCC[N+](C)(C)C)C
(2)InChI: InChI=1/C7H16NOS.BrH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: HQAPREJURVMGMB-REWHXWOFAS
(4)Std. InChI: InChI=1S/C7H16NOS.BrH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
(5)Std. InChIKey: HQAPREJURVMGMB-UHFFFAOYSA-M