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2564-38-7 | Thiazolo[5,4-e]-2,1,3-benzothiadiazole-7(6H)-thione (9CI)
CAS No: 2564-38-7 Catalog No: AG00BVIK MDL No:
Product Description
Catalog Number:
AG00BVIK
Chemical Name:
Thiazolo[5,4-e]-2,1,3-benzothiadiazole-7(6H)-thione (9CI)
CAS Number:
2564-38-7
IUPAC Name:
1H-[1,3]thiazolo[4,5-g][2,1,3]benzothiadiazole-7-thione
InChI:
InChI=1S/C7H3N3S3/c11-7-8-4-2-1-3-5(6(4)12-7)10-13-9-3/h1-2,10H
InChI Key:
QCQKPYPHWGLBFB-UHFFFAOYSA-N
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
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