chempirical

N-Methyl-1-(methylthio)-2-nitroethenamine

C4H8N2O2SCAS 61832-41-5148.18 g/mol

Open in Covalent MOL file
NHN+OO−S
AlkeneNitroSecondary amineSulfide

Properties

Molecular formula
C4H8N2O2S
Molar mass
148.18 g/mol
Exact mass
148.0306 Da
Melting point
113–115 °C
logP
0.64Crippen estimate
Polar surface area
55.2 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
61832-41-5
SMILES
CNC(=C[N+](=O)[O-])SC
InChIKey
YQFHPXZGXNYYLD-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N2O2S/c1-5-4(9-2)3-6(7)8/h3,5H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • Ethenamine, N-methyl-1-(methylthio)-2-nitro-
  • 1-(Methylamino)-1-(methylthio)-2-nitroethylene
  • 1-(Methylthio)-1-(methylamino)-2-nitroethylene
  • 2-(Methylthio)-2-(methylamino)-1-nitroethene
  • 2-(Methylamino)-2-(methylthio)-1-nitroethene
  • 1-(Methylthio)-1-(methylamino)-2-nitroethene
  • N-Methyl-1-(methylthio)-2-nitro-1-ethenamine
  • 1-(Methylamino)-1-(methylthio)-2-nitroethene
  • 2-(Methylamino)-2-(methylthio)-1-nitroethylene
  • 1-(Methylthio)-2-nitro-N-methylethyleneamine
  • N-Methyl-1-methylthio-2-nitroethyleneamine

Work with N-Methyl-1-(methylthio)-2-nitroethenamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1-Bis(methylthio)-2-nitroethylene13623-94-457 % similar 1-Methoxy-1-methylamino-2-nitroethylene110763-36-549 % similar Ranitidine66357-35-531 % similar Ranitidine hydrochloride66357-59-330 % similar 1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N′-methyl-2-nitro-, hydrochloride (1:?)71130-06-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-[(Aminoiminomethyl)thio]propanoic acid5398-29-8

Elsewhere

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