200,000+ products from a single source!
sales@angenechem.com
28784-39-6 | Naphtho[1,2-d]thiazolium, 2-[2-[(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-1-(3-sulfopropyl)-, inner salt
CAS No: 28784-39-6 Catalog No: AG002WGP MDL No:
Product Description
Catalog Number:
AG002WGP
Chemical Name:
Naphtho[1,2-d]thiazolium, 2-[2-[(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-1-(3-sulfopropyl)-, inner salt
CAS Number:
28784-39-6
IUPAC Name:
3-[2-[2-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
InChI:
InChI=1S/C29H30N2O3S3/c1-4-21(18-27-30(5-2)24-17-20(3)11-13-25(24)35-27)19-28-31(15-8-16-37(32,33)34)29-23-10-7-6-9-22(23)12-14-26(29)36-28/h6-7,9-14,17-19H,4-5,8,15-16H2,1-3H3
InChI Key:
BCJMYXULAHGVFY-UHFFFAOYSA-N
Properties
Complexity:
949
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
550.142g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
550.75g/mol
Monoisotopic Mass:
550.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
7.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.