123653-11-2
NS-398
Name
NS-398
Formula
C13 H18 N2 O5 S
MolWeight
314.36
1Identification
【Name】
NS-398
【CAS】
【MDL】
MFCD00882995
【English Synonyms】
【Formula】
C13 H18 N2 O5 S
【MolWeight】
314.36
【Inchi】
InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
【InChIKey】
InChIKey=KTDZCOWXCWUPEO-UHFFFAOYSA-N
【SMILES】
CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
NS-398.cml
Quick Release
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