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30065-12-4 | Thiazolo[3,2-a]benzimidazol-3(2H)-one,2-[2-(3-methylphenyl)diazenyl]-
CAS No: 30065-12-4 Catalog No: AG007JLI MDL No:
Product Description
Catalog Number:
AG007JLI
Chemical Name:
Thiazolo[3,2-a]benzimidazol-3(2H)-one,2-[2-(3-methylphenyl)diazenyl]-
CAS Number:
30065-12-4
Molecular Formula:
C16H12N4OS
Molecular Weight:
308.3577
IUPAC Name:
2-[(3-methylphenyl)diazenyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
InChI:
InChI=1S/C16H12N4OS/c1-10-5-4-6-11(9-10)18-19-14-15(21)20-13-8-3-2-7-12(13)17-16(20)22-14/h2-9,14H,1H3
InChI Key:
LMFXTIUQSZPCFH-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)/N=N/C1Sc2n(C1=O)c1c(n2)cccc1
NSC Number:
380496
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.359g/mol
Monoisotopic Mass:
308.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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