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82588-42-9 | 6-(p-Tolyl);imidazo[2,1-b]thiazole-5-carbaldehyde
CAS No: 82588-42-9 Catalog No: AG004XN2 MDL No:MFCD03425723
Product Description
Catalog Number:
AG004XN2
Chemical Name:
6-(p-Tolyl);imidazo[2,1-b]thiazole-5-carbaldehyde
CAS Number:
82588-42-9
Molecular Formula:
C13H10N2OS
Molecular Weight:
242.2963
MDL Number:
MFCD03425723
IUPAC Name:
6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
InChI:
InChI=1S/C13H10N2OS/c1-9-2-4-10(5-3-9)12-11(8-16)15-6-7-17-13(15)14-12/h2-8H,1H3
InChI Key:
NUEBUPJVOGWDTQ-UHFFFAOYSA-N
SMILES:
O=Cc1c(nc2n1ccs2)c1ccc(cc1)C
NSC Number:
332725
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.296g/mol
Monoisotopic Mass:
242.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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