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300860-21-3 | 1,3-Dithiolo[4,5-f]benzothiazole(9CI)
CAS No: 300860-21-3 Catalog No: AG00BRW3 MDL No:
Product Description
Catalog Number:
AG00BRW3
Chemical Name:
1,3-Dithiolo[4,5-f]benzothiazole(9CI)
CAS Number:
300860-21-3
IUPAC Name:
[1,3]dithiolo[4,5-f][1,3]benzothiazole
InChI:
InChI=1S/C8H5NS3/c1-5-6(10-3-9-5)2-8-7(1)11-4-12-8/h1-3H,4H2
InChI Key:
MKQSFNKLLVBGCT-UHFFFAOYSA-N
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.958g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.315g/mol
Monoisotopic Mass:
210.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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