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1742-90-1

1742-90-1 | 1-Methyl-2-[2-[1-methylnaphtho[1,2-d]thiazole-2(1H)-ylidenemethyl]-1-butenyl]naphtho[1,2-d]thiazole-1-ium·chloride

CAS No: 1742-90-1 Catalog No: AG00B4CI MDL No:

Product Description

Catalog Number:
AG00B4CI
Chemical Name:
1-Methyl-2-[2-[1-methylnaphtho[1,2-d]thiazole-2(1H)-ylidenemethyl]-1-butenyl]naphtho[1,2-d]thiazole-1-ium·chloride
CAS Number:
1742-90-1
IUPAC Name:
1-methyl-2-[2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]benzo[e][1,3]benzothiazole;chloride
InChI:
InChI=1S/C29H25N2S2.ClH/c1-4-19(17-26-30(2)28-22-11-7-5-9-20(22)13-15-24(28)32-26)18-27-31(3)29-23-12-8-6-10-21(23)14-16-25(29)33-27;/h5-18H,4H2,1-3H3;1H/q+1;/p-1
InChI Key:
JTZQODFHTUJZPJ-UHFFFAOYSA-M

Properties

Complexity:
717  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.115g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
501.103g/mol
Monoisotopic Mass:
500.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  

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