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41814-44-2
1,2,4-TRIAZOLO[3,4-B]BENZOTHIAZOL-3(2H)-ONE
Name
1,2,4-TRIAZOLO[3,4-B]BENZOTHIAZOL-3(2H)-ONE
Formula
C8 H5 N3 O S
MolWeight
191.214
1Identification
【Name】
1,2,4-TRIAZOLO[3,4-B]BENZOTHIAZOL-3(2H)-ONE
【CAS】
【MDL】
MFCD17015544
【English Synonyms】
【Formula】
C8 H5 N3 O S
【MolWeight】
191.214
【Inchi】
InChI=1S/C8H5N3OS/c12-11-8-10(5-9-11)6-3-1-2-4-7(6)13-8/h1-5H
【InChIKey】
InChIKey=ZUGHYGHUAKXIAE-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)n3cnn(=O)c3s2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,4-TRIAZOLO[3,4-B]BENZOTHIAZOL-3(2H)-ONE.cml
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Catalog No:016-00268 nullnull
Country/Region:United States
Business Type:Trading Company
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