2-methylthioadenosine

Chemical Properties

Melting point	225 °C
Boiling point	747.6±70.0 °C(Predicted)
Density	1.98±0.1 g/cm3(Predicted)
pka	13.08±0.70(Predicted)
InChI	InChI=1S/C11H15N5O4S/c1-21-11-14-8(12)5-9(15-11)16(3-13-5)10-7(19)6(18)4(2-17)20-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7-,10-/m1/s1
InChIKey	AJNDEAZTAFKOOO-KQYNXXCUSA-N
SMILES	OC[C@H]1O[C@@H](N2C3C(=C(N=C(SC)N=3)N)N=C2)[C@H](O)[C@@H]1O