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86878-60-6 | 2-Benzothiazolesulfonamide, N-(cyclohexylthio)-N-(1,1-dimethylethyl)-
CAS No: 86878-60-6 Catalog No: AG008EKE MDL No:
Product Description
Catalog Number:
AG008EKE
Chemical Name:
2-Benzothiazolesulfonamide, N-(cyclohexylthio)-N-(1,1-dimethylethyl)-
CAS Number:
86878-60-6
Molecular Formula:
C17H24N2O2S3
Molecular Weight:
384.5797
IUPAC Name:
N-tert-butyl-N-cyclohexylsulfanyl-1,3-benzothiazole-2-sulfonamide
InChI:
InChI=1S/C17H24N2O2S3/c1-17(2,3)19(23-13-9-5-4-6-10-13)24(20,21)16-18-14-11-7-8-12-15(14)22-16/h7-8,11-13H,4-6,9-10H2,1-3H3
InChI Key:
SMLSRFAOJGNPOB-UHFFFAOYSA-N
SMILES:
CC(N(S(=O)(=O)c1nc2c(s1)cccc2)SC1CCCCC1)(C)C
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.571g/mol
Monoisotopic Mass:
384.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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