CAS 1942-52-5

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Also known as: 1942-52-5, 2-(diethylamino)ethanethiol hydrochloride, 2-diethylamino ethanethiol hcl, Diethyl-2-mercaptoethylammonium chloride, Ethanethiol, 2-(diethylamino)-, hydrochloride, 2-(diethylamino)ethanethiol;hydrochloride

Molecular Formula

C₆H₁₆ClNS

Molecular Weight

169.72 g/mol

InChI Key

QAXLTZBBDSDRPW-UHFFFAOYSA-N

FDA UNII

TC4JV8V2VN

1 2D Structure

CAS 1942-52-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(diethylamino)ethanethiol;hydrochloride

2.1.2 InChI

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

2.1.3 InChI Key

QAXLTZBBDSDRPW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN(CC)CCS.Cl

2.2 Other Identifiers

2.2.1 UNII

TC4JV8V2VN

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1942-52-5

2. 2-(diethylamino)ethanethiol Hydrochloride

3. 2-diethylamino Ethanethiol Hcl

4. Diethyl-2-mercaptoethylammonium Chloride

5. Ethanethiol, 2-(diethylamino)-, Hydrochloride

6. 2-(diethylamino)ethanethiol;hydrochloride

7. Ethanethiol, 2-(diethylamino)-, Hydrochloride (1:1)

8. 185463-71-2

9. Usaf E-4

10. Einecs 217-731-8

11. 2-diethylaminoethyl Mercaptan Hydrochloride

12. Ai3-26086

13. Tc4jv8v2vn

14. Schembl897200

15. Dtxsid8062078

16. (diethylamino)ethanethiol Hydrochloride

17. Akos015894750

18. Ac-19101

19. As-65266

20. 2-(diethylamino)ethane-1-thiol Hydrochloride

21. 2-diethylaminoethanethiol Hydrochloride, 95%

22. N-(2-mercaptoethyl)diethylamine Hydrochloride

23. 2-diethylaminoethanethiol Hydrochloric Acid Salt

24. D89920

25. N,n-diethyl-ss-mercaptoethylamine Hydrochloride

26. 2-(diethylamino)ethanethiol Hydrochloride (1:1)

27. A813712

28. Ethanethiol, 2-(diethylamino)- Hydrochloride

29. W-107706

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₆ClNS
Molecular Weight	169.72 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	4.2
Heavy Atom Count	9
Formal Charge	0
Complexity	43.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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