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88469-77-6 | Thiazolo[4,5-d]pyridazine-7(6H)-thione, 2-phenyl-
CAS No: 88469-77-6 Catalog No: AG004ADD MDL No:
Product Description
Catalog Number:
AG004ADD
Chemical Name:
Thiazolo[4,5-d]pyridazine-7(6H)-thione, 2-phenyl-
CAS Number:
88469-77-6
Molecular Formula:
C11H7N3S2
Molecular Weight:
245.3234
IUPAC Name:
2-phenyl-6H-[1,3]thiazolo[4,5-d]pyridazine-7-thione
InChI:
InChI=1S/C11H7N3S2/c15-10-9-8(6-12-14-10)13-11(16-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChI Key:
VZNAQRNZDQEPOJ-UHFFFAOYSA-N
SMILES:
S=c1[nH]ncc2c1sc(n2)c1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.008g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.318g/mol
Monoisotopic Mass:
245.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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