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936-77-6 | 2-Ethylbenzo[d]thiazole
CAS No: 936-77-6 Catalog No: AG0061LJ MDL No:MFCD05982141
Product Description
Catalog Number:
AG0061LJ
Chemical Name:
2-Ethylbenzo[d]thiazole
CAS Number:
936-77-6
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
MDL Number:
MFCD05982141
IUPAC Name:
2-ethyl-1,3-benzothiazole
InChI:
InChI=1S/C9H9NS/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3
InChI Key:
CVULGJIRGZVJHQ-UHFFFAOYSA-N
SMILES:
CCc1nc2c(s1)cccc2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.238g/mol
Monoisotopic Mass:
163.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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