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13394-24-6 | Thiazolo[5,4-e][1,2]benzisothiazole(8CI,9CI)
CAS No: 13394-24-6 Catalog No: AG007MNB MDL No:
Product Description
Catalog Number:
AG007MNB
Chemical Name:
Thiazolo[5,4-e][1,2]benzisothiazole(8CI,9CI)
CAS Number:
13394-24-6
Molecular Formula:
C8H4N2S2
Molecular Weight:
192.2608
IUPAC Name:
[1,3]thiazolo[5,4-e][1,2]benzothiazole
InChI:
InChI=1S/C8H4N2S2/c1-2-7-5(3-10-12-7)8-6(1)9-4-11-8/h1-4H
InChI Key:
ANWZHXPUADNQQB-UHFFFAOYSA-N
SMILES:
n1sc2c(c1)c1scnc1cc2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.982g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.254g/mol
Monoisotopic Mass:
191.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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