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Home > Aldehydes > 175277-53-9
175277-53-9 | 6-[(4-CHLOROPHENYL)THIO]IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE
CAS No: 175277-53-9 Catalog No: AG00AMES MDL No:MFCD00102585
Product Description
Catalog Number:
AG00AMES
Chemical Name:
6-[(4-CHLOROPHENYL)THIO]IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE
CAS Number:
175277-53-9
Molecular Formula:
C12H7ClN2OS2
Molecular Weight:
294.7798
MDL Number:
MFCD00102585
IUPAC Name:
6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
InChI:
InChI=1S/C12H7ClN2OS2/c13-8-1-3-9(4-2-8)18-11-10(7-16)15-5-6-17-12(15)14-11/h1-7H
InChI Key:
LVNVTDKIAXLVOY-UHFFFAOYSA-N
SMILES:
O=Cc1c(Sc2ccc(cc2)Cl)nc2n1ccs2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.969g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.771g/mol
Monoisotopic Mass:
293.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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