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361-83-1 | Thiazolo[4,5-e]-2,1,3-benzothiadiazole
CAS No: 361-83-1 Catalog No: AG007B7H MDL No:MFCD28958284
Product Description
Catalog Number:
AG007B7H
Chemical Name:
Thiazolo[4,5-e]-2,1,3-benzothiadiazole
CAS Number:
361-83-1
Molecular Formula:
C7H3N3S2
Molecular Weight:
193.2488
MDL Number:
MFCD28958284
IUPAC Name:
[1,3]thiazolo[5,4-g][2,1,3]benzothiadiazole
InChI:
InChI=1S/C7H3N3S2/c1-2-5-7(8-3-11-5)6-4(1)9-12-10-6/h1-3H
InChI Key:
YVTGETYVJUBQLL-UHFFFAOYSA-N
SMILES:
s1nc2c(n1)c1ncsc1cc2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.977g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.242g/mol
Monoisotopic Mass:
192.977g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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