chempirical

6-Amino-2-thiouracil

C4H5N3OSCAS 1004-40-6143.16 g/mol

Open in Covalent MOL file
NH2OHNHSN
PhenolPrimary amineThiol

Properties

Molecular formula
C4H5N3OS
Molar mass
143.16 g/mol
Exact mass
143.0153 Da
Melting point
above 295 °C
logP
0.05Crippen estimate
Polar surface area
72.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
0

Identifiers

CAS number
1004-40-6
SMILES
Nc1cc(O)nc(S)n1
InChIKey
YFYYRKDBDBILSD-UHFFFAOYSA-N
InChI
InChI=1S/C4H5N3OS/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)

Weigh it out

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

Names and synonyms

23 names · show all
  • 2-Thio-4-amino-6-hydroxypyrimidine
  • 4-Amino-2-thiouracil
  • AB 48
  • 4-Amino-6-hydroxy-2-mercaptopyrimidine
  • 2-Mercapto-6-aminouracil
  • 2-Thio-6-aminouracil
  • 2-Mercapto-4-amino-6-hydroxypyrimidine
  • 6-Amino-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine
  • 6-Amino-2-mercapto-4-pyrimidinol
  • 6-Amino-4-hydroxy-2-mercaptopyrimidine
  • 4-Amino-6-hydroxy-2-thiopyrimidine
  • 4-Amino-6-hydroxy-2-sulfanylpyrimidine
  • NSC 1587
  • NSC 202018
  • NSC 321193
  • NSC 321194
  • 4(1H)-Pyrimidinone, 6-amino-2,3-dihydro-2-thioxo-
  • Uracil, 6-amino-2-thio-
  • 6-Amino-2,3-dihydro-2-thioxo-4(1H)-pyrimidinone
  • 4-Hydroxy-6-amino-2-mercaptopyrimidine
  • 6-Amino-2-mercapto-4(3H)-pyrimidinone
  • 6-Amino-2-sulfanyl-4(3H)-pyrimidinone
  • 6-Aminothiouracil

Work with 6-Amino-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

6-Aminouracil873-83-657 % similar Methylthiouracil56-04-253 % similar 6-Amino-2-methyl-4(3H)-pyrimidinone767-16-853 % similar 2,3-Dihydro-2-thioxo-6-(trifluoromethyl)-4(1H)-pyrimidinone368-54-748 % similar 6-Phenyl-2-thiouracil36822-11-447 % similar Propylthiouracil51-52-546 % similar 6-Amino-4(3H)-pyrimidinone1193-22-243 % similar 2-Thiouracil141-90-242 % similar

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

Same formula

6-Aza-2-thiothymine615-76-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook