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876717-81-6 | 2-Methyl-benzo[d]imidazo[2,1-b]thiazole-3-carbaldehyde
CAS No: 876717-81-6 Catalog No: AG01EY3G MDL No:
Product Description
Catalog Number:
AG01EY3G
Chemical Name:
2-Methyl-benzo[d]imidazo[2,1-b]thiazole-3-carbaldehyde
CAS Number:
876717-81-6
Molecular Formula:
C11H8N2OS
Molecular Weight:
216.2590
IUPAC Name:
2-methylimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
InChI:
InChI=1S/C11H8N2OS/c1-7-9(6-14)13-8-4-2-3-5-10(8)15-11(13)12-7/h2-6H,1H3
InChI Key:
QIPHXUDTMCOVMO-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nc2n1c1ccccc1s2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.258g/mol
Monoisotopic Mass:
216.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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