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Chemistry

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Also known as: 168127-08-0, 61832-41-5, Methyl[(z)-1-(methylsulfanyl)-2-nitroethenyl]amine, N-methyl-1-(methylthio)-2-nitroethenamine, 856lu0gv8h, N-methyl-1-(methylthio)-2-nitroethylen-1-amine
Molecular Formula
C4H8N2O2S
Molecular Weight
148.19  g/mol
InChI Key
YQFHPXZGXNYYLD-ARJAWSKDSA-N
FDA UNII
856LU0GV8H

Unii-856Lu0Gv8H
1 2D Structure

Unii-856Lu0Gv8H

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine
2.1.2 InChI
InChI=1S/C4H8N2O2S/c1-5-4(9-2)3-6(7)8/h3,5H,1-2H3/b4-3-
2.1.3 InChI Key
YQFHPXZGXNYYLD-ARJAWSKDSA-N
2.1.4 Canonical SMILES
CNC(=C[N+](=O)[O-])SC
2.1.5 Isomeric SMILES
CN/C(=C/[N+](=O)[O-])/SC
2.2 Other Identifiers
2.2.1 UNII
856LU0GV8H
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 168127-08-0

2. 61832-41-5

3. Methyl[(z)-1-(methylsulfanyl)-2-nitroethenyl]amine

4. N-methyl-1-(methylthio)-2-nitroethenamine

5. 856lu0gv8h

6. N-methyl-1-(methylthio)-2-nitroethylen-1-amine

7. (z)-n-methyl-1-methylsulfanyl-2-nitroethenamine

8. Ethenamine, N-methyl-1-(methylthio)-2-nitro-, (1z)-

9. (z)-n-methyl-1-(methylthio)-2-nitroethenamine

10. N-methyl-1-(methylsulfanyl)-2-nitro-1-ethylenamine

11. 1-methylamino-1-methylthio-2-nitroethylene

12. 1-methylthio-1-methylamino-2-nitroethylene

13. Methyl[1-(methylsulfanyl)-2-nitroethenyl]amine

14. Unii-856lu0gv8h

15. Schembl85718

16. Mls006011658

17. Str00714

18. Zinc1385210

19. Akos015900644

20. Smr004703410

21. 1-methylamino-1-(methylthio)-2-nitroethylene

22. 1b-021

23. 832m415

24. (z)-1-(methylthio)-1-(methylamino)-2-nitroethene

25. (z)-n-methyl-1-(methylsulfanyl)-2-nitroethenamine

26. Q27269602

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 148.19 g/mol
Molecular Formula C4H8N2O2S
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass148.03064868 g/mol
Monoisotopic Mass148.03064868 g/mol
Topological Polar Surface Area83.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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MolPort-001-757-055 Manufacturers | Traders | Suppliers

MolPort-001-757-055 Manufacturers, Traders, Suppliers 1
83

We have 1 companies offering MolPort-001-757-055

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  1. Corden Pharma Bergamo S.p.A
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