Suanfarma Suanfarma

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CAS 42518-98-9 manufacturers and suppliers on PharmaCompass

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CAS 42518-98-9
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

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
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