chempirical

4′-Formylacetanilide thiosemicarbazone

C10H12N4OSCAS 104-06-3236.29 g/mol

Open in Covalent MOL file
OHNNNHHNSH
HydrazoneThiol

Properties

Molecular formula
C10H12N4OS
Molar mass
236.29 g/mol
Exact mass
236.0732 Da
Melting point
225 °C (decomposes)
logP
2.08Crippen estimate
Polar surface area
80.8 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
3

Identifiers

CAS number
104-06-3
SMILES
CC(O)=Nc1ccc(C=NNC(=N)S)cc1
InChIKey
SRVJKTDHMYAMHA-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)

Weigh it out

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

Names and synonyms

82 names · show all
  • Acetamide, N-[4-[[2-(aminothioxomethyl)hydrazinylidene]methyl]phenyl]-
  • Acetanilide, 4′-formyl-, 4′-(thiosemicarbazone)
  • Acetamide, N-[4-[[(aminothioxomethyl)hydrazono]methyl]phenyl]-
  • Acetanilide, 4′-formyl-, thiosemicarbazone
  • N-[4-[[2-(Aminothioxomethyl)hydrazinylidene]methyl]phenyl]acetamide
  • Tb I/698
  • Sdt 1041
  • 4207RP
  • p-Acetamidobenzaldehyde thiosemicarbazone
  • p-Acetylaminobenzaldehyde thiosemicarbazone
  • Aktivan
  • Ambathizon
  • Amithiozone
  • Antib
  • Benthiozone
  • Benzothiozane
  • Benzothiozon
  • Berculon A
  • Berkazon
  • Conteben
  • Diasan
  • Domakol
  • Ilbion
  • Livazone
  • Myvizone
  • Neustab
  • Novakol
  • Nuclon argentinian
  • Panrone
  • Parazone
  • Seroden
  • Siocarbazone
  • Tb I
  • Tebalon
  • Tebecure
  • Tebemar
  • Tebethion
  • Tebethione
  • Tebezon
  • Thiacetazone
  • Thiacetone
  • Thibon
  • Thibone
  • Thioacetazone
  • Thiocarbazil
  • Thiomicid
  • Thionicid
  • Thioparamizone
  • Thiotebezin
  • Thizone
  • Tibicur
  • Tibione
  • Tibon
  • Tibone
  • Tiobicina
  • Tiocarone
  • Tiosecolo
  • Tubercazon
  • Tebesone I
  • Thiosemicarbazone
  • Tubigal
  • 4-Acetylaminobenzaldehyde thiosemicarbazone
  • Tioacetazon
  • Tiacetazon
  • Amitiozon
  • Diazan
  • Tibion
  • Neotibil
  • Tibizan
  • Thioparamizon
  • Mivizon
  • Thioacetazon
  • Tioatsetazon
  • Tubin
  • Thiotebicina
  • Thiotebesin
  • SQ 2321
  • Thiosemicarbazone (pharmaceutical)
  • Thiocarbazyl
  • Diazane
  • Mirizone neustab
  • NSC 3550

Work with 4′-Formylacetanilide thiosemicarbazone

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

4-Acetamidobenzaldehyde122-85-048 % similar N-Acetylthiosemicarbazide2302-88-748 % similar N,N′-Diacetyl-P-phenylenediamine140-50-147 % similar 4-Acetamidothiophenol1126-81-444 % similar N-[4-(2,2-Dicyanoethenyl)phenyl]acetamide26088-79-943 % similar 2-[(2-Chlorophenyl)methylene]hydrazinecarbothioamide5706-78-542 % similar Bromoacetanilide103-88-841 % similar P-Acetotoluidide103-89-941 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook