chempirical

Methyl N-[[(methoxycarbonyl)amino](methylthio)methylene]carbamate

C6H10N2O4SCAS 34840-23-8206.22 g/mol

Open in Covalent MOL file
OONNHOOS
Sulfide

Properties

Molecular formula
C6H10N2O4S
Molar mass
206.22 g/mol
Exact mass
206.0361 Da
Melting point
100–102 °C
logP
1.03Crippen estimate
Polar surface area
80.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Identifiers

CAS number
34840-23-8
SMILES
COC(=O)N=C(N=C(O)OC)SC
InChIKey
KHBXLYPOXVQKJG-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N2O4S/c1-11-5(9)7-4(13-3)8-6(10)12-2/h1-3H3,(H,7,8,9,10)

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

Names and synonyms

13 names · show all
  • Carbamic acid, N-[[(methoxycarbonyl)amino](methylthio)methylene]-, methyl ester
  • Carbamic acid, [[(methoxycarbonyl)amino](methylthio)methylene]-, methyl ester
  • Carbamic acid, [(methylthio)methylidyne]di-, dimethyl ester
  • 1,3-Bis(methoxycarbonyl)-2-methylisothiourea
  • 1,3-Bis(methoxycarbonyl)-S-methylisothiourea
  • N,N-Di(methoxycarbonyl)-S-methylisothiourea
  • Dimethyl 2-methylisothiourea-1,3-dicarboxylate
  • N,N′-Bis(methoxycarbonyl)-S-methylisothiourea
  • 1,3-Bis(carbomethoxy)-S-methylisothiourea
  • 1,3-Dicarbomethoxy-S-methylisothiourea
  • 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea
  • NSC 160237
  • 1,3-Di(methoxycarbonyl)-2-methylisothiourea

Work with Methyl N-[[(methoxycarbonyl)amino](methylthio)methylene]carbamate

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

N-(Methoxycarbonyl)-3-methyl-L-valine162537-11-335 % similar Methyl carbazate6294-89-934 % similar Thiophanate-methyl23564-05-833 % similar N-(Methoxycarbonyl)-L-valine74761-42-533 % similar Di-tert-butyl-iminodicarboxylate51779-32-933 % similar

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

Same formula

Benzene-1,4-diamine; hydroxy hydrogen sulfite16245-77-5 Phenylhydrazine sulfate52033-74-6 1,3-Phenylenediamine sulfate541-70-8

Elsewhere

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