N-Methyl-1-Methylsulfanyl-2-Nitroethenamine

Synopsis, Chemistry

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Also known as: 61832-41-5, 1-methylthio-1-methylamino-2-nitroethylene, N-methyl-1-methylsulfanyl-2-nitroethenamine, Ethenamine, n-methyl-1-(methylthio)-2-nitro-, N-methyl-1-methylthio-2-nitroethenamine, N-methyl-1-(methylthio)-2-nitroethylen-1-amine

Molecular Formula

C₄H₈N₂O₂S

Molecular Weight

148.19 g/mol

InChI Key

YQFHPXZGXNYYLD-UHFFFAOYSA-N

1 2D Structure

N-Methyl-1-Methylsulfanyl-2-Nitroethenamine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.3 InChI Key

YQFHPXZGXNYYLD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNC(=C[N+](=O)[O-])SC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 61832-41-5

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

3. N-methyl-1-methylsulfanyl-2-nitroethenamine

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

5. N-methyl-1-methylthio-2-nitroethenamine

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

7. 1-methylamino-1-methylthio-2-nitroethylene

8. Mfcd00040994

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

10. (ez)-n-methyl-1-(methylsulphanyl)-2-nitroethen-1-amine

11. Dtxsid801272519

12. Akos028108495

13. N-methyl-1-methylthio-2-nitroetheneamine

14. 1-methylamino-1-methylthio-2-nitroethene

15. 1-methylthio-1-methylamino-2-nitroethene

16. Sy013512

17. N-methyl-1-methylthio-2-nitro-etheneamine

18. 2-methylamino-2-methylthio-1-nitroethylene

19. N-methyl-1-(methylthio)-2-nitroetheneamine

20. Ft-0608079

21. N-methyl-1-methylthio-2-nitro-1-ethenamine

22. F16587

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₄H₈N₂O₂S
Molecular Weight	148.19 g/mol
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	148.03064868 g/mol
Monoisotopic Mass	148.03064868 g/mol
Topological Polar Surface Area	83.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	129
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently Bonded Unit Count	1