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Also known as: 609-40-5, Thiophene, 2-nitro-, 2-nitro-thiophene, 2-nitro thiophene, Mfcd00005425, 2-nitrothiophene, tech., 85%
Molecular Formula
C4H3NO2S
Molecular Weight
129.14  g/mol
InChI Key
JIZRGGUCOQKGQD-UHFFFAOYSA-N

CAS 609-40-5
1 2D Structure

CAS 609-40-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-nitrothiophene
2.1.2 InChI
InChI=1S/C4H3NO2S/c6-5(7)4-2-1-3-8-4/h1-3H
2.1.3 InChI Key
JIZRGGUCOQKGQD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CSC(=C1)[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 609-40-5

2. Thiophene, 2-nitro-

3. 2-nitro-thiophene

4. 2-nitro Thiophene

5. Mfcd00005425

6. 2-nitrothiophene, Tech., 85%

7. Nsc 5371

8. Einecs 210-190-9

9. Nitrothiophene

10. Ai3-16618

11. 2-nitrothiofene

12. Nsc5371

13. 2-nitrothiophene, Tech.

14. Wln: T5sj Bnw

15. Bidd:gt0164

16. Schembl136001

17. Dtxsid9060570

18. Jizrggucoqkgqd-uhfffaoysa-

19. Nsc-5371

20. Zinc1680876

21. Stl282559

22. Akos000268995

23. Ac-4912

24. Cs-w016550

25. Gs-6133

26. 2-nitrothiophene, 85%, Technical Grade

27. Db-053752

28. Am20100484

29. Ft-0613223

30. Ft-0695552

31. N0407

32. F13472

33. W-105221

34. Q27452741

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 129.14 g/mol
Molecular Formula C4H3NO2S
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass128.98844951 g/mol
Monoisotopic Mass128.98844951 g/mol
Topological Polar Surface Area74.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity101
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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