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18879-72-6 | Benzothiazole, 6-ethoxy-2-methyl-
CAS No: 18879-72-6 Catalog No: AG002HBM MDL No:MFCD00086011
Product Description
Catalog Number:
AG002HBM
Chemical Name:
Benzothiazole, 6-ethoxy-2-methyl-
CAS Number:
18879-72-6
Molecular Formula:
C10H11NOS
Molecular Weight:
193.2654
MDL Number:
MFCD00086011
IUPAC Name:
6-ethoxy-2-methyl-1,3-benzothiazole
InChI:
InChI=1S/C10H11NOS/c1-3-12-8-4-5-9-10(6-8)13-7(2)11-9/h4-6H,3H2,1-2H3
InChI Key:
PKRZJVQWLOOWHD-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)sc(n2)C
NSC Number:
142170
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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