2-(Diethylamino)ethanethiol hydrochloride (1:1)

Basic Information

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CAS Number

1942-52-5

Molecular Formula

C6H16ClNS

Molecular Weight

169.72 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

170-175 °C

Refractive Index

1.6100 (estimate)

SMILES

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CCN(CC)CCS.Cl

InChI

InChI=1S/C6H15NS.ClH/c1-3-7(4-2)5-6-8;/h8H,3-6H2,1-2H3;1H

InChIKey

QAXLTZBBDSDRPW-UHFFFAOYSA-N

LogP

1.6798

Topological Polar Surface Area

3.24 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

43.8

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

D89920
N,N-Diethyl-ss-mercaptoethylamine hydrochloride
SCHEMBL897200
USAF E-4
AC-19101
2-Diethylaminoethanethiol hydrochloride, 95%
EINECS 217-731-8
N-(2-Mercaptoethyl)diethylamine hydrochloride
2-(Diethylamino)ethanethiol hydrochloride (1:1)
AI3-26086
185463-71-2
W-107706
TC4JV8V2VN
2-(diethylamino)ethanethiol hydrochloride
2-Diethylaminoethyl mercaptan hydrochloride
2-diethylaminoethanethiol hydrochloric acid salt
2-(diethylamino)ethane-1-thiol hydrochloride
DTXSID8062078
FT-0612168
Diethyl-2-mercaptoethylammonium chloride
1942-52-5
Ethanethiol, 2-(diethylamino)-, hydrochloride (1:1)
AS-65266
A813712
2-Diethylaminoethanethiol hydrochloride
2-Diethylamino ethanethiol HCL
2-(diethylamino)ethanethiol;hydrochloride
QAXLTZBBDSDRPW-UHFFFAOYSA-N
ETHANETHIOL, 2-(DIETHYLAMINO)-, HYDROCHLORIDE
(Diethylamino)ethanethiol hydrochloride
AKOS015894750

MDL Number

MFCD00012634

FAQ

What are the physical and chemical properties of 2-(Diethylamino)ethanethiol hydrochloride (CAS: 1942-52-5)?

2-(Diethylamino)ethanethiol hydrochloride (CAS: 1942-52-5) is a white or off-white crystalline solid with a molecular weight of approximately 247.78 g/mol. It is slightly soluble in water and ethanol. This compound is known for its reactivity, particularly in nucleophilic substitution reactions. It has a pKa of about 4.2, indicating it is a weak acid.

How is 2-(Diethylamino)ethanethiol hydrochloride (CAS: 1942-52-5) typically synthesized?

2-(Diethylamino)ethanethiol hydrochloride is typically synthesized by reacting ethanethiol with diethylamine in the presence of a strong acid catalyst, such as hydrochloric acid. The reaction is conducted in an inert solvent like methanol or ethanol. The yield is generally high, and the product is isolated by crystallization from an appropriate solvent.

What industries use 2-(Diethylamino)ethanethiol hydrochloride (CAS: 1942-52-5)?

2-(Diethylamino)ethanethiol hydrochloride (CAS: 1942-52-5) is used in various industries. It is a key reagent in the synthesis of pharmaceuticals, as it can be incorporated into drug molecules. It is also used in the production of polymers and as a building block in organic synthesis. Additionally, it has applications in sensor technology and semiconductor manufacturing.

What precautions should be taken when handling 2-(Diethylamino)ethanethiol hydrochloride (CAS: 1942-52-5)?

When handling 2-(Diethylamino)ethanethiol hydrochloride (CAS: 1942-52-5), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and lab coats. Work should be conducted in a well-ventilated fume hood to minimize exposure to vapors. Spills should be cleaned up with caution, using appropriate absorbent materials. Always refer to the Material Safety Data Sheet (MSDS) for comprehensive safety information.