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20749-81-9 | 3-ETHYL-2-([7-([3-ETHYL-6-METHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENYLIDENE]METHYL)-6-METHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
CAS No: 20749-81-9 Catalog No: AG00BQQ5 MDL No:
Product Description
Catalog Number:
AG00BQQ5
Chemical Name:
3-ETHYL-2-([7-([3-ETHYL-6-METHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENYLIDENE]METHYL)-6-METHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
CAS Number:
20749-81-9
IUPAC Name:
(2Z)-3-ethyl-2-[[(7E)-7-[(3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-6-methyl-1,3-benzothiazole;iodide
InChI:
InChI=1S/C32H35N2S2.HI/c1-5-33-27-13-7-21(3)15-29(27)35-31(33)19-23-9-11-25-12-10-24(18-26(25)17-23)20-32-34(6-2)28-14-8-22(4)16-30(28)36-32;/h7-8,13-20,25H,5-6,9-12H2,1-4H3;1H/q+1;/p-1
InChI Key:
GLYUZBBVFPQZAN-UHFFFAOYSA-M
Properties
Complexity:
877
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
638.129g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
638.67g/mol
Monoisotopic Mass:
638.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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