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83783-65-7 | 4-Thiazolidinone,5-[5,5-dimethyl-3-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-2-cyclohexen-1-ylidene]-3-ethyl-2-thioxo-
CAS No: 83783-65-7 Catalog No: AG004WPE MDL No:
Product Description
Catalog Number:
AG004WPE
Chemical Name:
4-Thiazolidinone,5-[5,5-dimethyl-3-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-2-cyclohexen-1-ylidene]-3-ethyl-2-thioxo-
CAS Number:
83783-65-7
Molecular Formula:
C22H24N2OS3
Molecular Weight:
428.6338
IUPAC Name:
(5E)-5-[5,5-dimethyl-3-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]cyclohex-2-en-1-ylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C22H24N2OS3/c1-5-24-20(25)19(28-21(24)26)15-10-14(12-22(2,3)13-15)11-18-23(4)16-8-6-7-9-17(16)27-18/h6-11H,5,12-13H2,1-4H3/b18-11+,19-15-
InChI Key:
BKRUMFOCKLOKJK-ILUNCUQESA-N
SMILES:
CCN1C(=S)SC(=C2C=C(C=c3sc4c(n3C)cccc4)CC(C2)(C)C)C1=O
EC Number:
280-799-2
Properties
Complexity:
796
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
428.105g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.627g/mol
Monoisotopic Mass:
428.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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