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55439-49-1 | Benzothiazole, 2-(1,3,4-thiadiazol-2-yl)- (9CI)
CAS No: 55439-49-1 Catalog No: AG00DO3X MDL No:
Product Description
Catalog Number:
AG00DO3X
Chemical Name:
Benzothiazole, 2-(1,3,4-thiadiazol-2-yl)- (9CI)
CAS Number:
55439-49-1
IUPAC Name:
2-(1,3,4-thiadiazol-2-yl)-1,3-benzothiazole
InChI:
InChI=1S/C9H5N3S2/c1-2-4-7-6(3-1)11-8(14-7)9-12-10-5-13-9/h1-5H
InChI Key:
IBMDVTOPKFNSEP-UHFFFAOYSA-N
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.28g/mol
Monoisotopic Mass:
218.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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