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2D Structure
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

1 2D Structure

2D Structure

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