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19208-21-0

19208-21-0 | 2-THIAZOLINIUM, 3-ETHYL-2-[(3-ETHYL-2-BENZOTHIAZOLINYLIDENE)METHYL]-5-[7-[(3-ETHYL-2-BENZOTHIAZOLINYLIDENE)METHYL]-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHYLIDENE]-4-OXO-, IODIDE

CAS No: 19208-21-0 Catalog No: AG00B6X2 MDL No:

Product Description

Catalog Number:
AG00B6X2
Chemical Name:
2-THIAZOLINIUM, 3-ETHYL-2-[(3-ETHYL-2-BENZOTHIAZOLINYLIDENE)METHYL]-5-[7-[(3-ETHYL-2-BENZOTHIAZOLINYLIDENE)METHYL]-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHYLIDENE]-4-OXO-, IODIDE
CAS Number:
19208-21-0
IUPAC Name:
(2Z,5E)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[7-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]-1,3-thiazolidin-4-one;iodide
InChI:
InChI=1S/C35H36N3OS3.HI/c1-4-36-27-11-7-9-13-29(27)40-31(36)20-23-15-16-24-17-18-25(21-26(24)19-23)34-35(39)38(6-3)33(42-34)22-32-37(5-2)28-12-8-10-14-30(28)41-32;/h7-14,19-22,24H,4-6,15-18H2,1-3H3;1H/q+1;/p-1/b31-20-,34-25+;
InChI Key:
PATBQNVCFOMVKB-LAFWUTSASA-M

Properties

Complexity:
1230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3  
Exact Mass:
737.107g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
737.777g/mol
Monoisotopic Mass:
737.107g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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