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CAS No.: | 13242-44-9 |
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Name: | 2-DIMETHYLAMINOETHANETHIOL HYDROCHLORIDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C4H11 N S . Cl H |
Molecular Weight: | 141.665 |
Synonyms: | Ethanethiol,2-(dimethylamino)-, hydrochloride (6CI,7CI,8CI,9CI);(2-Mercaptoethyl)dimethylammonium chloride; 1-(Dimethylamino)-2-mercaptoethanehydrochloride; 2-(Dimethylamino)ethanethiol hydrochloride;2-(Dimethylamino)ethyl mercaptan hydrochloride;2-(N,N-Dimethylamino)ethanethiol hydrochloride; Captamine hydrochloride; MEDA;N,N-Dimethyl-2-aminoethanethiol hydrochloride; N,N-Dimethylcysteaminehydrochloride; N-(2-Mercaptoethyl)dimethylamine hydrochloride; NSC 45463;Thiofluor |
Density: | g/cm3 |
Melting Point: |
150-160 °C(lit.) |
Boiling Point: | 121.9°Cat760mmHg |
Flash Point: | 27.5°C |
Appearance: | white to off-white crystalline powder |
Hazard Symbols: | |
Risk Codes: | 36/37/38 |
Safety: | Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of Cl−, SOx, and NOx. |
PSA: | 42.04000 |
LogP: | 1.27980 |
(2-chloroethyl)dimethylamine hydrochloride
2-(N,N-dimethylamino)ethylthiol hydrochloride
Conditions | Yield |
---|---|
Stage #1: (2-chloroethyl)dimethylamine hydrochloride With sodium thiosulfate In water for 10h; Heating; Stage #2: With hydrogenchloride at 85℃; for 2h; Further stages.; |
2-(N,N-dimethylamino)ethylthiol hydrochloride
1-(Chloromethyl-dimethyl-silanyl)-2-{tris-[2-(chloromethyl-dimethyl-silanyl)-ethyl]-silanyl}-ethane
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol; water at 80℃; for 9.5h; | 99% |
2-(N,N-dimethylamino)ethylthiol hydrochloride
suberoyl chloride
(2-thiosuberoyloxydiethyl)-bis(dimethylamine) dihydrochloride
Conditions | Yield |
---|---|
In dichloromethane for 24h; Heating; | 98.6% |
bismuth(III) chloride
2-(N,N-dimethylamino)ethylthiol hydrochloride
Conditions | Yield |
---|---|
In tetrahydrofuran; ethanol pptn.; recrystn. (water); elem. anal.; | 97% |
bismuth(III) chloride
2-(N,N-dimethylamino)ethylthiol hydrochloride
BiCl3(SCH2CH2N(CH3)2H)
Conditions | Yield |
---|---|
In tetrahydrofuran; ethanol (N2); elem. anal.; | 97% |
2-(N,N-dimethylamino)ethylthiol hydrochloride
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran; toluene; mineral oil Heating; | 95% |
2-(N,N-dimethylamino)ethylthiol hydrochloride
2-(dimethylamino)ethane-1-sulfonyl chloride hydrochloride
Conditions | Yield |
---|---|
With chlorine In methanol; water at -5 - 0℃; for 1.5h; | 94% |
(+)-brefeldin A
2-(N,N-dimethylamino)ethylthiol hydrochloride
Conditions | Yield |
---|---|
With N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In methanol; water for 2h; Ambient temperature; | 94% |
Conditions | Yield |
---|---|
With 2,2-dimethoxy-2-phenylacetophenone In tetrahydrofuran; methanol for 4h; Irradiation; regioselective reaction; | 93% |
2-(N,N-dimethylamino)ethylthiol hydrochloride
chloroacetic acid
2-((2-(dimethylamino)ethyl)thio)acetic acid hydrochloride
Conditions | Yield |
---|---|
Stage #1: 2-(N,N-dimethylamino)ethylthiol hydrochloride; chloroacetic acid With potassium methanolate In methanol at 40℃; for 2h; Inert atmosphere; Stage #2: With hydrogenchloride In isopropyl alcohol pH=2; | 93% |
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Molecular Structure of 2-Dimethylamino ethanethiol hydrochloride (CAS NO.13242-44-9):
EINECS: 236-221-6
IUPAC Name: 2-(Dimethylamino)ethanethiol hydrochloride
Molecular Formula: C4H12ClNS
Molecular Weight: 141.662780 g/mol
H-Bond Donor: 1
H-Bond Acceptor: 1
Canonical SMILES: CN(C)CCS.Cl
InChI: InChI=1S/C4H11NS.ClH/c1-5(2)3-4-6;/h6H,3-4H2,1-2H3;1H
InChIKey: NRVFDGZJTPCULU-UHFFFAOYSA-N
Flash Point: 27.5 °C
Enthalpy of Vaporization: 35.99 kJ/mol
Boiling Point: 121.9 °C at 760 mmHg
Vapour Pressure: 14.3 mmHg at 25 °C
Melting Point: 150-160 °C(lit.)
Storage Temp.: Refrigerator (+4°C)
1. | ipr-mus LD50:280 mg/kg | YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. 93 (1973),25. |
Reported in EPA TSCA Inventory.
Safety Information of 2-Dimethylamino ethanethiol hydrochloride (CAS NO.13242-44-9):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36:Wear suitable protective clothing
WGK Germany: 3
RTECS: KJ1051000
F: 3-10-13-23
Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of Cl−, SOx, and NOx.
2-Dimethylamino ethanethiol hydrochloride with CAS registry number of 13242-44-9 is white to off-white crystalline powder, also known as Captamine hydrochloride [USAN] ; (2-Mercaptoethyl)dimethylammonium chloride ; (Dimethylamino)ethanethiol hydrochloride ; 1-(Dimethylamino)-2-thioethane hydrochloride ; 2-(Dimethylamino)ethanethiol hydrochloride ; 2-Dimethylamino ethanethiol hydrochloride ; Captamine HCl ; Captamine hydrochloride ; MEDA ; N,N-Dimethyl-2-aminoethanethiol hydrochloride ; N,N-Dimethylcysteamine hydrochloride ; N-(2-Mercaptoethyl)dimethylamine hydrochloride ; N-Dimethylcysteamine hydrochloride ; NSC 45463 ; NSC-45463 ; UNII-M43AX41U87 ; Ethanethiol, 2-(dimethylamino)-, hydrochloride ; Ethanethiol, 2-(dimethylamino)-, hydrochloride (1:1) . It is incompatible with strong oxidizing agents. When heated to decomposition, it yields Hydrogen chloride , Carbon monoxide , oxides of Nitrogen , oxides of sulfur, Carbon dioxide , Hydrogen sulfide .