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2D Structure
Also known as: 542-81-4, 1-chloro-2-(methylthio)ethane, Ethane, 1-chloro-2-(methylthio)-, 2-methylthioethyl chloride, 2-chloroethyl methyl sulphide, Sulfide, 2-chloroethyl methyl
Molecular Formula
C3H7ClS
Molecular Weight
110.61  g/mol
InChI Key
MYFKLQFBFSHBPA-UHFFFAOYSA-N
FDA UNII
422D246XB5

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-chloro-2-methylsulfanylethane
2.1.2 InChI
InChI=1S/C3H7ClS/c1-5-3-2-4/h2-3H2,1H3
2.1.3 InChI Key
MYFKLQFBFSHBPA-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
422D246XB5
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Cems

2.3.2 Depositor-Supplied Synonyms

1. 542-81-4

2. 1-chloro-2-(methylthio)ethane

3. Ethane, 1-chloro-2-(methylthio)-

4. 2-methylthioethyl Chloride

5. 2-chloroethyl Methyl Sulphide

6. Sulfide, 2-chloroethyl Methyl

7. Nsc 91724

8. 4-chloro-2-thiabutane

9. Einecs 208-828-6

10. Nsc-91724

11. 422d246xb5

12. Dtxsid50202557

13. Methyl .beta.-chloroethyl Sulfide

14. 2methylthioethyl Chloride

15. 1chloro2(methylthio)ethane

16. 2chloroethyl Methyl Sulphide

17. Sulfide, 2chloroethyl Methyl

18. Ethane, 1chloro2(methylthio)

19. Dtxcid80125048

20. Sulfide, 2chloroethyl Methyl (8ci)

21. Ethane, 1chloro2(methylthio) (9ci)

22. Methyl Beta-chloroethyl Sulfide

23. Sulfide, 2-chloroethyl Methyl (8ci)

24. Ethane, 1-chloro-2-(methylthio)-(9ci)

25. (2-chloroethyl)(methyl)sulfane

26. 1-chloro-2-methylsulfanylethane

27. 2-chloroethyl Methylsulfide

28. 1-chloro-2-(methylsulfanyl)ethane

29. 22599-69-5

30. 1-chloro-2-methylsulfanyl-ethane

31. 2-(methylthio)ethyl Chloride

32. .beta.-chloroethyl Methyl Sulfide

33. A-chloroethylmethyl Sulfide

34. C3h7cls

35. 2-chloroethylmethylsulfide

36. Mfcd00000978

37. Methylthioethylchloride

38. Methylthioethyl Chloride

39. Chloroethyl Methylsulfide

40. Ch3sch2ch2cl

41. 2-methylthioethylchloride

42. 2-chloroethylmethylsulfane

43. Chloroethyl Methyl Sulfide

44. 2-chlorethyl-methylsulfide

45. 2-chloroethylmethylsulphide

46. 2-chloroethyl-methylsulfide

47. 1-chloro-2-methylthioethane

48. A-chloroethyl Methyl Sulfide

49. 2-chloroethyl-methyl Sulphide

50. (2-chloroethyl)methyl Sulfide

51. 2-chloro-ethyl Methyl Sulfide

52. Schembl223485

53. Beta-chloroethyl Methyl Sulfide

54. Unii-422d246xb5

55. 1-chloro-2-methylmercapto-ethane

56. 1-chloranyl-2-methylsulfanyl-ethane

57. Albb-014067

58. Nsc91724

59. 2-chloroethyl Methyl Sulfide, 97%

60. 1-chloro-2-(methylsulfanyl)ethane #

61. Akos005174447

62. Fc29696

63. Fs-4217

64. Db-111250

65. Ns00033023

66. En300-12529

67. A830079

68. Inchi=1/c3h7cls/c1-5-3-2-4/h2-3h2,1h

69. 2-chloroethyl Methyl Sulfide, Purum, >=97.0% (gc)

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 110.61 g/mol
Molecular Formula C3H7ClS
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area25.3
Heavy Atom Count5
Formal Charge0
Complexity16.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1