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4271-09-4 | 2,2'-BIBENZOTHIAZOLE
CAS No: 4271-09-4 Catalog No: AG00CQ3V MDL No:
Product Description
Catalog Number:
AG00CQ3V
Chemical Name:
2,2'-BIBENZOTHIAZOLE
CAS Number:
4271-09-4
IUPAC Name:
2-(1,3-benzothiazol-2-yl)-1,3-benzothiazole
InChI:
InChI=1S/C14H8N2S2/c1-3-7-11-9(5-1)15-13(17-11)14-16-10-6-2-4-8-12(10)18-14/h1-8H
InChI Key:
YJVXQQKAUCYQIP-UHFFFAOYSA-N
NSC Number:
507740
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.013g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.352g/mol
Monoisotopic Mass:
268.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation. | Organic & biomolecular chemistry 20050207 |
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