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130537-88-1 | Benzothiazole, 2,2'-[1,4-butanediylbis(thio)]bis-
CAS No: 130537-88-1 Catalog No: AG000ULR MDL No:MFCD00540005
Product Description
Catalog Number:
AG000ULR
Chemical Name:
Benzothiazole, 2,2'-[1,4-butanediylbis(thio)]bis-
CAS Number:
130537-88-1
Molecular Formula:
C18H16N2S4
Molecular Weight:
388.5930
MDL Number:
MFCD00540005
IUPAC Name:
2-[4-(1,3-benzothiazol-2-ylsulfanyl)butylsulfanyl]-1,3-benzothiazole
InChI:
InChI=1S/C18H16N2S4/c1-3-9-15-13(7-1)19-17(23-15)21-11-5-6-12-22-18-20-14-8-2-4-10-16(14)24-18/h1-4,7-10H,5-6,11-12H2
InChI Key:
IBGOKHZTPKJQAH-UHFFFAOYSA-N
SMILES:
C(CSc1nc2c(s1)cccc2)CCSc1nc2c(s1)cccc2
Properties
Complexity:
361
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:
7
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
Literature
| Title | Journal |
|---|---|
| Bis(1,3-benzothia-zol-2-amine-κN)silver(I) nitrate acetone solvate. | Acta crystallographica. Section E, Structure reports online 20090301 |
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