chempirical

2,4-Dithiouracil

C4H4N2S2CAS 2001-93-6144.21 g/mol

Open in Covalent MOL file
HSNSHN
Thiol

Properties

Molecular formula
C4H4N2S2
Molar mass
144.21 g/mol
Exact mass
143.9816 Da
Melting point
above 270 °C (decomposes)
logP
1.05Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
2001-93-6
SMILES
Sc1ccnc(S)n1
InChIKey
ZEQIWKHCJWRNTH-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2S2/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

10 names
  • 2,4(1H,3H)-Pyrimidinedithione
  • Uracil, 2,4-dithio-
  • 2,4-Pyrimidinedithiol
  • 2,4-Dimercaptopyrimidine
  • 2,4-Dithioxopyrimidine
  • Dithiouracil
  • NSC 42031
  • 1,2,3,4-Tetrahydropyrimidine-2,4-dithione
  • 1H-Pyrimidine-2,4-dithione
  • 2-Sulfanyl-1,4-dihydropyrimidine-4-thione

Work with 2,4-Dithiouracil

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-Thiouracil141-90-256 % similar 4-Thiouracil591-28-652 % similar 2-Mercapto-4-methylpyrimidine hydrochloride6959-66-650 % similar 2-Mercaptopyrimidine1450-85-745 % similar 4-(4-Chlorophenyl)-2(1H)-pyrimidinethione175203-08-445 % similar 2-Mercaptopyridine2637-34-540 % similar 2-Mercaptopyridine73018-10-740 % similar Trithiocyanuric acid638-16-435 % similar

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

Elsewhere

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