chempirical

Propylthiouracil

C7H10N2OSCAS 51-52-5170.23 g/mol

Open in Covalent MOL file
OHNSHN
PhenolThiol

Properties

Molecular formula
C7H10N2OS
Molar mass
170.23 g/mol
Exact mass
170.0514 Da
Melting point
219–221 °C
logP
1.42Crippen estimate
Polar surface area
46.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
51-52-5
SMILES
CCCc1cc(O)nc(S)n1
InChIKey
KNAHARQHSZJURB-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)

Weigh it out

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

Names and synonyms

31 names · show all
  • 4(1H)-Pyrimidinone, 2,3-dihydro-6-propyl-2-thioxo-
  • Uracil, 6-propyl-2-thio-
  • 2,3-Dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone
  • 2-Mercapto-4-hydroxy-6-n-propylpyrimidine
  • Procasil
  • Propacil
  • Propycil
  • 6-Propyl-2-thio-2,4(1H,3H)pyrimidinedione
  • 6-Propyl-2-thiouracil
  • 6-Propylthiouracil
  • 6-n-Propyl-2-thiouracil
  • 6-n-Propylthiouracil
  • Prothyran
  • PTU
  • 2-Thio-4-oxo-6-propyl-1,3-pyrimidine
  • 2-Thio-6-propyl-1,3-pyrimidin-4-one
  • Thyreostat II
  • Propyl-thyracil
  • 2-Mercapto-4-hydroxy-6-propylpyrimidine
  • Prothiurone
  • Prothycil
  • Protiural
  • Propyl-thiorist
  • Propylthiorit
  • Thiuragyl
  • Prothiucil
  • PTU (thyreostatic)
  • NSC 6498
  • NSC 70461
  • 2-Mercapto-6-propylpyrimidin-4-ol
  • 6-Propyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

Work with Propylthiouracil

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

Methylthiouracil56-04-250 % similar 2,3-Dihydro-2-thioxo-6-(trifluoromethyl)-4(1H)-pyrimidinone368-54-746 % similar 6-Amino-2-thiouracil1004-40-646 % similar 6-Phenyl-2-thiouracil36822-11-441 % similar 2-Thiouracil141-90-236 % similar 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione18592-13-733 % similar 4,6-Dimethyl-2-mercaptopyrimidine22325-27-532 % similar 6-Hydroxy-4-methyl-2-pyridone4664-16-832 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook