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95415-38-6 | Benzothiazole, 2,2'-thiobis[6-ethoxy-
CAS No: 95415-38-6 Catalog No: AG0060DW MDL No:
Product Description
Catalog Number:
AG0060DW
Chemical Name:
Benzothiazole, 2,2'-thiobis[6-ethoxy-
CAS Number:
95415-38-6
Molecular Formula:
C18H16N2O2S3
Molecular Weight:
388.5268
IUPAC Name:
6-ethoxy-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1,3-benzothiazole
InChI:
InChI=1S/C18H16N2O2S3/c1-3-21-11-5-7-13-15(9-11)23-17(19-13)25-18-20-14-8-6-12(22-4-2)10-16(14)24-18/h5-10H,3-4H2,1-2H3
InChI Key:
ABDGRZBXDBBGBM-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)sc(n2)Sc1nc2c(s1)cc(cc2)OCC
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.037g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.518g/mol
Monoisotopic Mass:
388.037g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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