160707-69-7
APRICITABINE
Name
APRICITABINE
Formula
C8 H11 N3 O3 S
MolWeight
229.259
1Identification
【Name】
APRICITABINE
【CAS】
【MDL】
MFCD09837753
【English Synonyms】
【Formula】
C8 H11 N3 O3 S
【MolWeight】
229.259
【Inchi】
InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m1/s1
【InChIKey】
InChIKey=RYMCFYKJDVMSIR-RNFRBKRXSA-N
【SMILES】
c1cn(c(=O)nc1N)[C@H]2CO[C@H](S2)CO
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
APRICITABINE.cml
Quick Release
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