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13394-20-2 | Thieno[2,3-g]benzothiazole
CAS No: 13394-20-2 Catalog No: AG00716S MDL No:
Product Description
Catalog Number:
AG00716S
Chemical Name:
Thieno[2,3-g]benzothiazole
CAS Number:
13394-20-2
Molecular Formula:
C9H5NS2
Molecular Weight:
191.2727
IUPAC Name:
thieno[2,3-g][1,3]benzothiazole
InChI:
InChI=1S/C9H5NS2/c1-2-8-6(3-4-11-8)9-7(1)10-5-12-9/h1-5H
InChI Key:
ZVHYUWAOAKDBHV-UHFFFAOYSA-N
SMILES:
c1sc2c(c1)c1scnc1cc2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.986g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.266g/mol
Monoisotopic Mass:
190.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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