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36930-73-1 | 2-Benzothiazolesulfenamide,N-(1,1,3,3-tetramethylbutyl)-
CAS No: 36930-73-1 Catalog No: AG0077MJ MDL No:
Product Description
Catalog Number:
AG0077MJ
Chemical Name:
2-Benzothiazolesulfenamide,N-(1,1,3,3-tetramethylbutyl)-
CAS Number:
36930-73-1
Molecular Formula:
C15H22N2S2
Molecular Weight:
294.4786
IUPAC Name:
N-(1,3-benzothiazol-2-ylsulfanyl)-2,4,4-trimethylpentan-2-amine
InChI:
InChI=1S/C15H22N2S2/c1-14(2,3)10-15(4,5)17-19-13-16-11-8-6-7-9-12(11)18-13/h6-9,17H,10H2,1-5H3
InChI Key:
XKIDASBNXGXGLR-UHFFFAOYSA-N
SMILES:
CC(CC(NSc1nc2c(s1)cccc2)(C)C)(C)C
EC Number:
253-279-8
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.475g/mol
Monoisotopic Mass:
294.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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