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2591-11-9 | 2-(Ethylsulfonyl)benzothiazole
CAS No: 2591-11-9 Catalog No: AG00BQFY MDL No:
Product Description
Catalog Number:
AG00BQFY
Chemical Name:
2-(Ethylsulfonyl)benzothiazole
CAS Number:
2591-11-9
IUPAC Name:
2-ethylsulfonyl-1,3-benzothiazole
InChI:
InChI=1S/C9H9NO2S2/c1-2-14(11,12)9-10-7-5-3-4-6-8(7)13-9/h3-6H,2H2,1H3
InChI Key:
ZYGPCLHWVYJMPA-UHFFFAOYSA-N
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.007g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.296g/mol
Monoisotopic Mass:
227.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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