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20613-71-2 | Thiazolo[4,5-e]-2,1,3-benzothiadiazole-7(8H)-thione
CAS No: 20613-71-2 Catalog No: AG002AJQ MDL No:
Product Description
Catalog Number:
AG002AJQ
Chemical Name:
Thiazolo[4,5-e]-2,1,3-benzothiadiazole-7(8H)-thione
CAS Number:
20613-71-2
Molecular Formula:
C7H3N3S3
Molecular Weight:
225.3138
IUPAC Name:
3H-[1,3]thiazolo[4,5-e][2,1,3]benzothiadiazole-7-thione
InChI:
InChI=1S/C7H3N3S3/c11-7-8-6-4(12-7)2-1-3-5(6)10-13-9-3/h1-2,9H
InChI Key:
CXWSZEQOOKLSJN-UHFFFAOYSA-N
SMILES:
S=c1sc2c([nH]1)c1nsnc1cc2
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.949g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.302g/mol
Monoisotopic Mass:
224.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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