chempirical

Ethyl thiooxamate

C4H7NO2SCAS 16982-21-1133.17 g/mol

Open in Covalent MOL file
OONH2S
Ester

Properties

Molecular formula
C4H7NO2S
Molar mass
133.17 g/mol
Exact mass
133.0197 Da
Melting point
58–60 °C
logP
-0.16Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
16982-21-1
SMILES
CCOC(=O)C(N)=S
InChIKey
YMBMCMOZIGSBOA-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO2S/c1-2-7-4(6)3(5)8/h2H2,1H3,(H2,5,8)

Weigh it out

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

Names and synonyms

16 names · show all
  • Thiooxamic acid ethyl ester
  • Acetic acid, 2-amino-2-thioxo-, ethyl ester
  • Oxamic acid, 2-thio-, ethyl ester
  • Acetic acid, aminothioxo-, ethyl ester
  • Ethyl thiooxamidate
  • Ethyl 2-thiooxamate
  • Ethyl amino(thiocarbonyl)carboxylate
  • Ethyl 2-amino-2-thioxoacetate
  • Ethyl aminothioxoacetate
  • NSC 174676
  • Ethyl thioxamate
  • Ethyl thiocarbamoylformate
  • 2-Thiooxamic acid ethyl ester
  • (Amino)(thioxo)acetic acid ethyl ester
  • 2-Amino-2-thioxoacetic acid ethyl ester
  • Ethyl 2-amino-thioxoacetate

Work with Ethyl thiooxamate

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

Ethyl oxamate617-36-763 % similar Diethyl oxalate95-92-158 % similar 1,1,2,2-Tetraethyl 1,1,2,2-ethenetetracarboxylate6174-95-454 % similar Ethyl 2-oximinooxamate10489-74-448 % similar Ethyl 2-oxobutanoate15933-07-047 % similar Ethyl oxalyl chloride4755-77-547 % similar 1,3-Diethyl 2-(1-methylethylidene)propanedioate6802-75-147 % similar Ethyl methacrylate97-63-245 % similar

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

Same formula

L-Thioproline34592-47-7 4-Thiazolidinecarboxylic acid444-27-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook