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Home > Imidazoles > 113707-97-4
113707-97-4 | Imidazo[2,1-b]benzothiazole-3-thiol
CAS No: 113707-97-4 Catalog No: AG0009FB MDL No:
Product Description
Catalog Number:
AG0009FB
Chemical Name:
Imidazo[2,1-b]benzothiazole-3-thiol
CAS Number:
113707-97-4
Molecular Formula:
C9H6N2S2
Molecular Weight:
206.2873
IUPAC Name:
imidazo[2,1-b][1,3]benzothiazole-1-thiol
InChI:
InChI=1S/C9H6N2S2/c12-8-5-10-9-11(8)6-3-1-2-4-7(6)13-9/h1-5,12H
InChI Key:
ISNANDCYNWBNQE-UHFFFAOYSA-N
SMILES:
Sc1cnc2n1c1ccccc1s2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.281g/mol
Monoisotopic Mass:
205.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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