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20613-68-7 | Thiazolo[4,5-e]-2,1,3-benzothiadiazol-7-amine
CAS No: 20613-68-7 Catalog No: AG002AJR MDL No:
Product Description
Catalog Number:
AG002AJR
Chemical Name:
Thiazolo[4,5-e]-2,1,3-benzothiadiazol-7-amine
CAS Number:
20613-68-7
Molecular Formula:
C7H4N4S2
Molecular Weight:
208.2635
IUPAC Name:
[1,3]thiazolo[5,4-g][2,1,3]benzothiadiazol-7-amine
InChI:
InChI=1S/C7H4N4S2/c8-7-9-6-4(12-7)2-1-3-5(6)11-13-10-3/h1-2H,(H2,8,9)
InChI Key:
UZABMGKTBOKEPD-UHFFFAOYSA-N
SMILES:
Nc1sc2c(n1)c1nsnc1cc2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.988g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
207.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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