chempirical

Carboxin

C12H13NO2SCAS 5234-68-4235.30 g/mol

Open in Covalent MOL file
ONHSO
AlkeneEtherSulfide

Properties

Molecular formula
C12H13NO2S
Molar mass
235.30 g/mol
Exact mass
235.0667 Da
Melting point
93–95 °C
logP
3.27Crippen estimate
Polar surface area
41.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
5234-68-4
SMILES
CC1=C(C(O)=Nc2ccccc2)SCCO1
InChIKey
GYSSRZJIHXQEHQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)

Weigh it out

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

Names and synonyms

30 names · show all
  • 1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-
  • 1,4-Oxathiin-3-carboxanilide, 5,6-dihydro-2-methyl-
  • 5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide
  • D 735
  • DCMO
  • 2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin
  • Vitavax
  • Carboxine
  • F 735
  • 5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide
  • 2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide
  • DMOC
  • 1-Oxa-2-methyl-3-(anilidocarbonyl)-4-thiacyclohex-2-ene
  • Vitavax 735D
  • Vitavax 75W
  • Vitavax 100
  • Carbathiin
  • V 4X
  • 2,3-Dihydro-6-methyl-1,4-oxathiine-5-carboxylic acid anilide
  • Vitaflo 250
  • Karboxyn
  • Fenoxan
  • N-Phenyl-2-methyl-5,6-dihydrooxathiin-3-carboxamide
  • Vitavax EC 200
  • NSC 263492
  • 2,3-Dihydro-6-methyloxathiin-5-carboxanilide
  • Vitavax 34
  • 2-Methyl-5,6-dihydro-[1,4]oxathiine-3-carboxylic acid phenylamide
  • 2-Methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
  • VitavaxThiran

Work with Carboxin

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 N-phenylcarbamate101-99-537 % similar Acetoacetanilide102-01-236 % similar N-Phenylethanethioamide637-53-634 % similar Propham122-42-933 % similar Chloroacetanilide587-65-533 % similar 4-Methyl-3-oxo-N-phenyl-2-(phenylmethylene)pentanamide125971-57-532 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook