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118220-72-7

118220-72-7 | Benzothiazole, 6-ethyl-

CAS No: 118220-72-7 Catalog No: AG00818C MDL No:

Product Description

Catalog Number:
AG00818C
Chemical Name:
Benzothiazole, 6-ethyl-
CAS Number:
118220-72-7
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
IUPAC Name:
6-ethyl-1,3-benzothiazole
InChI:
InChI=1S/C9H9NS/c1-2-7-3-4-8-9(5-7)11-6-10-8/h3-6H,2H2,1H3
InChI Key:
CQGBKJUMTILWPU-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)scn2

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:
2.8  

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