Home Aldehydes 6-Benzothiazolecarboxaldehyde,2-methyl-(8CI,9CI)

6-Benzothiazolecarboxaldehyde,2-methyl-(8CI,9CI)

CAS No.:
20061-51-2
Catalog Number:
AG00BHE2
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
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Product Description
Catalog Number:
AG00BHE2
Chemical Name:
6-Benzothiazolecarboxaldehyde,2-methyl-(8CI,9CI)
CAS Number:
20061-51-2
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
MDL Number:
MFCD00600564
IUPAC Name:
2-methyl-1,3-benzothiazole-6-carbaldehyde
InChI:
InChI=1S/C9H7NOS/c1-6-10-8-3-2-7(5-11)4-9(8)12-6/h2-5H,1H3
InChI Key:
YWWCWMXKLGRFNX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)sc(n2)C
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.221g/mol
Monoisotopic Mass:
177.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties