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139361-74-3 | 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-N-(3-methylbutyl)-
CAS No: 139361-74-3 Catalog No: AG001AUX MDL No:
Product Description
Catalog Number:
AG001AUX
Chemical Name:
2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-N-(3-methylbutyl)-
CAS Number:
139361-74-3
Molecular Formula:
C16H24N2S2
Molecular Weight:
308.5052
IUPAC Name:
N-(1,3-benzothiazol-2-ylsulfanyl)-N-tert-butyl-3-methylbutan-1-amine
InChI:
InChI=1S/C16H24N2S2/c1-12(2)10-11-18(16(3,4)5)20-15-17-13-8-6-7-9-14(13)19-15/h6-9,12H,10-11H2,1-5H3
InChI Key:
ONBLDGOGXVUIAM-UHFFFAOYSA-N
SMILES:
CC(CCN(C(C)(C)C)Sc1nc2c(s1)cccc2)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.138g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.502g/mol
Monoisotopic Mass:
308.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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