chempirical

2-Thiouracil

C4H4N2OSCAS 141-90-2128.15 g/mol

Open in Covalent MOL file
HONSHN
PhenolThiol

Properties

Molecular formula
C4H4N2OS
Molar mass
128.15 g/mol
Exact mass
128.0044 Da
Melting point
above 340 °C (decomposes)
logP
0.47Crippen estimate
Polar surface area
46.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
141-90-2
SMILES
Oc1ccnc(S)n1
InChIKey
ZEMGGZBWXRYJHK-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)

Weigh it out

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

Names and synonyms

24 names · show all
  • 4(1H)-Pyrimidinone, 2,3-dihydro-2-thioxo-
  • Uracil, 2-thio-
  • 2,3-Dihydro-2-thioxo-4(1H)-pyrimidinone
  • 6-Hydroxy-2-mercaptopyrimidine
  • 2-Mercapto-4-hydroxypyrimidine
  • Thiouracil
  • 2-Mercapto-4-pyrimidinol
  • Antagothyroil
  • Deracil
  • Nobilen
  • 4-Hydroxy-2-pyrimidinethiol
  • 4-Hydroxy-2-mercaptopyrimidine
  • 2-Mercapto-4-pyrimidinone
  • NSC 19473
  • NSC 290412
  • NSC 290413
  • NSC 290414
  • 2-Thioxo-2,3-dihydropyrimidin-4(1H)-one
  • 2-Sulfanyl-3,4-dihydropyrimidin-4-one
  • 2-Sulfanylidene-1H-pyrimidin-4-one
  • 2-Sulfanylpyrimidin-4-ol
  • 2-Sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
  • 2-Mercapto-3H-pyrimidin-4-one
  • 2-Thioxo-2,3-dihydro-1H-pyrimidin-4-one

Work with 2-Thiouracil

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

2,4-Dithiouracil2001-93-656 % similar Uracil66-22-854 % similar 2-Mercapto-4-methylpyrimidine hydrochloride6959-66-650 % similar 2-(Methylthio)-4(3H)-pyrimidinone5751-20-247 % similar 2,3-Dihydro-2-thioxo-6-(trifluoromethyl)-4(1H)-pyrimidinone368-54-742 % similar 6-Amino-2-thiouracil1004-40-642 % similar Methylthiouracil56-04-242 % similar 4-(4-Chlorophenyl)-2(1H)-pyrimidinethione175203-08-441 % similar

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

Same formula

2-Amino-5-thiazolecarboxaldehyde1003-61-8 4-Thiouracil591-28-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia