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85438-89-7 | 2-Benzothiazolesulfonamide, N-cyclohexyl-N-[(1-methylethyl)thio]-
CAS No: 85438-89-7 Catalog No: AG004NNL MDL No:
Product Description
Catalog Number:
AG004NNL
Chemical Name:
2-Benzothiazolesulfonamide, N-cyclohexyl-N-[(1-methylethyl)thio]-
CAS Number:
85438-89-7
Molecular Formula:
C16H22N2O2S3
Molecular Weight:
370.5531
IUPAC Name:
N-cyclohexyl-N-propan-2-ylsulfanyl-1,3-benzothiazole-2-sulfonamide
InChI:
InChI=1S/C16H22N2O2S3/c1-12(2)22-18(13-8-4-3-5-9-13)23(19,20)16-17-14-10-6-7-11-15(14)21-16/h6-7,10-13H,3-5,8-9H2,1-2H3
InChI Key:
UQEZPYSTFOCXRW-UHFFFAOYSA-N
SMILES:
CC(SN(S(=O)(=O)c1nc2c(s1)cccc2)C1CCCCC1)C
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.084g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.544g/mol
Monoisotopic Mass:
370.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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