chempirical

2-Thioadenosine

C10H13N5O4SCAS 43157-50-2299.31 g/mol

Open in Covalent MOL file
NNHSNNOOHHOOHNH2
AlcoholEtherPrimary amine

Properties

Molecular formula
C10H13N5O4S
Molar mass
299.31 g/mol
Exact mass
299.0688 Da
logP
-1.32Crippen estimate
Polar surface area
142.4 Ų
H-bond donors / acceptors
5 / 8
Rotatable bonds
2
Stereocentres
R, R, S, Rin SMILES atom order

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
43157-50-2
SMILES
C1=NC2=C(NC(=S)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChIKey
LTESOZAUMTUKQX-UUOKFMHZSA-N
InChI
InChI=1S/C10H13N5O4S/c11-7-4-8(14-10(20)13-7)15(2-12-4)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.

Work with 2-Thioadenosine

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-Aminoadenosine2096-10-875 % similar 2-Chloroadenosine146-77-061 % similar Isoguanosine1818-71-961 % similar 2-Fluoroadenosine146-78-160 % similar Fludarabine21679-14-160 % similar 2-Iodoadenosine35109-88-760 % similar 2-Amino-3′-O-methyladenosine80791-88-460 % similar Vidarabine5536-17-459 % similar

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

Same formula

Thioguanosine85-31-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook