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19196-14-6 | Benzothiazole, 2-(hexylsulfonyl)-
CAS No: 19196-14-6 Catalog No: AG002FKL MDL No:
Product Description
Catalog Number:
AG002FKL
Chemical Name:
Benzothiazole, 2-(hexylsulfonyl)-
CAS Number:
19196-14-6
Molecular Formula:
C13H17NO2S2
Molecular Weight:
283.4096
IUPAC Name:
2-hexylsulfonyl-1,3-benzothiazole
InChI:
InChI=1S/C13H17NO2S2/c1-2-3-4-7-10-18(15,16)13-14-11-8-5-6-9-12(11)17-13/h5-6,8-9H,2-4,7,10H2,1H3
InChI Key:
YGIMXGGNJLJKRO-UHFFFAOYSA-N
SMILES:
CCCCCCS(=O)(=O)c1nc2c(s1)cccc2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.404g/mol
Monoisotopic Mass:
283.07g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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