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Also known as: 42518-98-9, 5-chorothiophene-2-carbonyl chloride, 5-chlorothiophene-2-carbonylchloride, 5-chloro-2-thenoyl chloride, 5-chloro-2-thiophenecarbonyl chloride, 5-chloro-thiophene-2-carbonyl chloride
Molecular Formula
C5H2Cl2OS
Molecular Weight
181.04  g/mol
InChI Key
BMPDCQVRKDNUAP-UHFFFAOYSA-N
FDA UNII
V8Z66S2CJ3

CAS 42518-98-9
1 2D Structure

CAS 42518-98-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-chlorothiophene-2-carbonyl chloride
2.1.2 InChI
InChI=1S/C5H2Cl2OS/c6-4-2-1-3(9-4)5(7)8/h1-2H
2.1.3 InChI Key
BMPDCQVRKDNUAP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(SC(=C1)Cl)C(=O)Cl
2.2 Other Identifiers
2.2.1 UNII
V8Z66S2CJ3
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 42518-98-9

2. 5-chorothiophene-2-carbonyl Chloride

3. 5-chlorothiophene-2-carbonylchloride

4. 5-chloro-2-thenoyl Chloride

5. 5-chloro-2-thiophenecarbonyl Chloride

6. 5-chloro-thiophene-2-carbonyl Chloride

7. 2-thiophenecarbonyl Chloride, 5-chloro-

8. V8z66s2cj3

9. Unii-v8z66s2cj3

10. Schembl76028

11. 5-chlorothiophenecarbonyl Chloride

12. Dtxsid00343348

13. 5-chlorothiophene Carbonyl Chloride

14. Albb-011190

15. Bcp11850

16. Cs-d0711

17. Zinc2168777

18. 5-chloro-thiophen-carboxylic Chloride

19. Bbl014852

20. Mfcd00043886

21. Stl197261

22. Akos005173302

23. 5-chloro Thiophene-2-carbonyl Chloride

24. Ab01959

25. 5-chloranylthiophene-2-carbonyl Chloride

26. 5-chloro-2-thiophenecarbonyl Chloride #

27. 5-chlorothiophenecarboxylic Acid Chloride

28. Ac-23924

29. As-18729

30. Db-002596

31. 5-chloro-2-thiophenecarboxylic Acid Chloride

32. 5-chloro-thiophen-2-carboxylic Acid-chloride

33. 5-chlorothiophene-2-carboxylic Acid Chloride

34. Am20090749

35. Bb 0262879

36. Ft-0639797

37. 5-chloro-thiophene-2-carboxylic Acid Chloride

38. 5-chloro-thiophene-2-carboxylic Acid-chloride

39. A825922

40. Q-102522

41. F2146-0390

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 181.04 g/mol
Molecular Formula C5H2Cl2OS
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass179.9203412 g/mol
Monoisotopic Mass179.9203412 g/mol
Topological Polar Surface Area45.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity128
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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