531-82-8
FUROTHIAZOLE
Name
FUROTHIAZOLE
Formula
C9 H7 N3 O4 S
MolWeight
253.237
1Identification
【Name】
FUROTHIAZOLE
【CAS】
【MDL】
MFCD00242768
【English Synonyms】
【Formula】
C9 H7 N3 O4 S
【MolWeight】
253.237
【Inchi】
InChI=1S/C9H7N3O4S/c1-5(13)10-9-11-6(4-17-9)7-2-3-8(16-7)12(14)15/h2-4H,1H3,(H,10,11,13)
【InChIKey】
InChIKey=GYRMPDLIHUXUIG-UHFFFAOYSA-N
【SMILES】
CC(=O)Nc1nc(cs1)c2ccc(o2)[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
FUROTHIAZOLE.cml
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