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88190-79-8

88190-79-8 | Benzothiazole, 2,2'-dithiobis[4-ethyl-

CAS No: 88190-79-8 Catalog No: AG004C6C MDL No:

Product Description

Catalog Number:
AG004C6C
Chemical Name:
Benzothiazole, 2,2'-dithiobis[4-ethyl-
CAS Number:
88190-79-8
Molecular Formula:
C18H16N2S4
Molecular Weight:
388.5930
IUPAC Name:
4-ethyl-2-[(4-ethyl-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
InChI:
InChI=1S/C18H16N2S4/c1-3-11-7-5-9-13-15(11)19-17(21-13)23-24-18-20-16-12(4-2)8-6-10-14(16)22-18/h5-10H,3-4H2,1-2H3
InChI Key:
DFUYINQLZGUAOO-UHFFFAOYSA-N
SMILES:
CCc1cccc2c1nc(s2)SSc1sc2c(n1)c(CC)ccc2

Properties

Complexity:
386  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.02g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.58g/mol
Monoisotopic Mass:
388.02g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2  

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