chempirical

Thioguanosine

C10H13N5O4SCAS 85-31-4299.31 g/mol

Open in Covalent MOL file
NHNHSNNOOHOHOHNH
AlcoholEtherThiol

Properties

Molecular formula
C10H13N5O4S
Molar mass
299.31 g/mol
Exact mass
299.0688 Da
Melting point
224–227 °C
logP
-1.86Crippen estimate
Polar surface area
140.3 Ų
H-bond donors / acceptors
6 / 8
Rotatable bonds
2
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
85-31-4
SMILES
N=c1nc(S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1
InChIKey
OTDJAMXESTUWLO-UUOKFMHZSA-N
InChI
InChI=1S/C10H13N5O4S/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)/t3-,5-,6-,9-/m1/s1

Weigh it out

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

Names and synonyms

15 names · show all
  • Guanosine, 6-thio-
  • 6H-Purine-6-thione, 2-amino-1,9-dihydro-9-β-D-ribofuranosyl-
  • 9H-Purine-6(1H)-thione, 2-amino-9-β-D-ribofuranosyl-
  • 6-Thioguanosine
  • 2-Amino-6-mercaptopurine ribonucleoside
  • 2-Amino-9-(β-D-ribofuranosyl)purine-6-thiol
  • 2-Amino-9-β-D-ribofuranosyl-9H-purine-6-thiol
  • 2-Amino-9-β-D-ribofuranosylpurine-6-thione
  • 6-Thioguanine riboside
  • 6-Mercaptoguanosine
  • 6-Thioguanine ribonucleoside
  • NSC-29422
  • 2-Amino-6-mercaptopurine riboside
  • 6-Mercaptoguanine riboside
  • 9-β-D-Ribofuranosylthioguanine

Work with Thioguanosine

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

Guanosine118-00-377 % similar 9-β-D-Arabinofuranosylguanine38819-10-277 % similar Guanosine85-30-377 % similar Nelarabine121032-29-973 % similar 2-Amino-6-chloropurine riboside2004-07-164 % similar 2-Aminoadenosine2096-10-864 % similar 2-Amino-9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one103884-98-663 % similar 3′-Deoxy-3′-fluoroguanosine123402-21-163 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook