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189329-19-9 | Benzothiazole, 2,2'-[[2-(4-morpholinyl)-1-propen-1-ylidene]bis(thio)]bis-
CAS No: 189329-19-9 Catalog No: AG002IAA MDL No:
Product Description
Catalog Number:
AG002IAA
Chemical Name:
Benzothiazole, 2,2'-[[2-(4-morpholinyl)-1-propen-1-ylidene]bis(thio)]bis-
CAS Number:
189329-19-9
Molecular Formula:
C21H19N3OS4
Molecular Weight:
457.6551
IUPAC Name:
4-[1,1-bis(1,3-benzothiazol-2-ylsulfanyl)prop-1-en-2-yl]morpholine
InChI:
InChI=1S/C21H19N3OS4/c1-14(24-10-12-25-13-11-24)19(28-20-22-15-6-2-4-8-17(15)26-20)29-21-23-16-7-3-5-9-18(16)27-21/h2-9H,10-13H2,1H3
InChI Key:
VWPOIFBESWZNAT-UHFFFAOYSA-N
SMILES:
CC(=C(Sc1nc2c(s1)cccc2)Sc1nc2c(s1)cccc2)N1CCOCC1
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.041g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
457.643g/mol
Monoisotopic Mass:
457.041g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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