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175277-55-1 | 6-(4-METHYLPHENYLTHIO)IMIDAZO[2,1-B]THIAZOLE-5-CARBOXALDEHYDE
CAS No: 175277-55-1 Catalog No: AG00BACR MDL No:MFCD00102586
Product Description
Catalog Number:
AG00BACR
Chemical Name:
6-(4-METHYLPHENYLTHIO)IMIDAZO[2,1-B]THIAZOLE-5-CARBOXALDEHYDE
CAS Number:
175277-55-1
Molecular Formula:
C13H10N2OS2
Molecular Weight:
274.3613
MDL Number:
MFCD00102586
IUPAC Name:
6-(4-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
InChI:
InChI=1S/C13H10N2OS2/c1-9-2-4-10(5-3-9)18-12-11(8-16)15-6-7-17-13(15)14-12/h2-8H,1H3
InChI Key:
UNIGDMGLJKRXHV-UHFFFAOYSA-N
SMILES:
O=Cc1c(Sc2ccc(cc2)C)nc2n1ccs2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.023g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.356g/mol
Monoisotopic Mass:
274.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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