CAS 5834-16-2

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Also known as: 5834-16-2, 3-methylthiophene-2-carboxaldehyde, 3-methylthiophene-2-carbaldehyde, 2-formyl-3-methylthiophene, 3-methylthiophene-2-aldehyde, 3-methyl-2-formylthiophene

Molecular Formula

C₆H₆OS

Molecular Weight

126.18 g/mol

InChI Key

BSQKBHXYEKVKMN-UHFFFAOYSA-N

FDA UNII

ZHC9WE8PS0

1 2D Structure

CAS 5834-16-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-methylthiophene-2-carbaldehyde

2.1.2 InChI

InChI=1S/C6H6OS/c1-5-2-3-8-6(5)4-7/h2-4H,1H3

2.1.3 InChI Key

BSQKBHXYEKVKMN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(SC=C1)C=O

2.2 Other Identifiers

2.2.1 UNII

ZHC9WE8PS0

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 5834-16-2

2. 3-methylthiophene-2-carboxaldehyde

3. 3-methylthiophene-2-carbaldehyde

4. 2-formyl-3-methylthiophene

5. 3-methylthiophene-2-aldehyde

6. 3-methyl-2-formylthiophene

7. 2-thiophenecarboxaldehyde, 3-methyl-

8. 3-methyl-2-thiophene Carboxaldehyde

9. 3-methyl-2-thiophenecarboxaldehyde ,tech

10. 3-methyl-2-thiophenecarbaldehyde

11. Mfcd00005430

12. Zhc9we8ps0

13. 3-methyl-2-thiophenecarboxaldehyde, Tech Grade

14. 3-methyl-thiophene-2-carbaldehyde

15. 3-methylthiophene-2-aldehyde (3-m-t-2-a)

16. Thiophenecarboxaldehyde, Methyl-

17. Einecs 227-418-8

18. Unii-zhc9we8ps0

19. 3-methyl-2-thienaldehyde

20. 109578-87-2

21. Bidd:gt0155

22. Schembl447131

23. 3-methylthiophene Carboxaldehyde

24. 3-methyl-2-thenaldehyde

25. Thiophene, 3-methyl, 2-formyl

26. 3-methyl-2-thiophencarboxaldehyde

27. 3-methylthiophene-2-carboaldehyde

28. Dtxsid80207070

29. 3-methylthiophen-2-carboxaldehyde

30. Zinc157152

31. 2-thiophenecarboxaldehyde, 3-methyl

32. 3-methyl-thiophene-2-carboxaldehyde

33. 3-methyl-2-carboxaldehyde-thiophene

34. Geo-01955

35. Stk801368

36. Akos000119473

37. Ps-3269

38. Sy008987

39. Am20100422

40. Cs-0071758

41. Ft-0616189

42. M0899

43. W-105398

44. F2190-0652

45. 3-methyl-2-thiophenecarboxaldehyde, 90%, Technical Grade

46. Morantel Hydrogen Tartrate Impurity E [ep Impurity]

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₆H₆OS
Molecular Weight	126.18 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	126.01393598 g/mol
Monoisotopic Mass	126.01393598 g/mol
Topological Polar Surface Area	45.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	92.5
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	1