200,000+ products from a single source!
sales@angenechem.com
84434-66-2 | Benzothiazolium,2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-3-(2-hydroxyethyl)-,bromide (1:1)
CAS No: 84434-66-2 Catalog No: AG004SJA MDL No:
Product Description
Catalog Number:
AG004SJA
Chemical Name:
Benzothiazolium,2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-3-(2-hydroxyethyl)-,bromide (1:1)
CAS Number:
84434-66-2
Molecular Formula:
C22H23BrN2OS2
Molecular Weight:
475.4648
IUPAC Name:
2-[2-[(E,3E)-3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]ethanol;bromide
InChI:
InChI=1S/C22H23N2OS2.BrH/c1-3-23-17-8-4-6-10-19(17)26-21(23)14-16(2)15-22-24(12-13-25)18-9-5-7-11-20(18)27-22;/h4-11,14-15,25H,3,12-13H2,1-2H3;1H/q+1;/p-1
InChI Key:
HENRQSDRRJLACL-UHFFFAOYSA-M
SMILES:
OCC[n+]1c(C=C(C=c2sc3c(n2CC)cccc3)C)sc2c1cccc2.[Br-]
EC Number:
282-867-7
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
474.044g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
475.463g/mol
Monoisotopic Mass:
474.044g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.