113412-71-8
1-(5-PHENYLTHIENO(2,3-D)ISOTHIAZOL-3-YL)-1H-BENZOTRIAZOLE S(1),S(1)-DIOXIDE
Name1-(5-PHENYLTHIENO(2,3-D)ISOTHIAZOL-3-YL)-1H-BENZOTRIAZOLE S(1),S(1)-DIOXIDE
1Identification
【Name】
1-(5-PHENYLTHIENO(2,3-D)ISOTHIAZOL-3-YL)-1H-BENZOTRIAZOLE S(1),S(1)-DIOXIDE
【CAS】
【MDL】
MFCD01663753
【English Synonyms】
【Formula】
C17 H10 N4 O2 S2
【MolWeight】
366.424
【Inchi】
InChI=1S/C17H10N4O2S2/c22-25(23)15-10-14(11-6-2-1-3-7-11)24-16(15)17(19-25)21-13-9-5-4-8-12(13)18-20-21/h1-10H
【InChIKey】
InChIKey=DHADUOSCVDGLAA-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2cc3c(s2)C(=NS3(=O)=O)n4c5ccccc5nn4
【MOL File】
1-(5-PHENYLTHIENO(2,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(5-PHENYLTHIENO(2,3-D)ISOTHIAZOL-3-YL)-1H-BENZOTRIAZOLE S(1),S(1)-DIOXIDE.cml