Name: Name:CARBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE-
Brand: Angene
SKU: AG00DFQL
Rating: 90 (10 reviews)

CARBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE-

CAS No.:

52749-17-4

Catalog Number:

AG00DFQL

Molecular Formula:

Molecular Weight:

Catalog Number:

AG00DFQL

Chemical Name:

CARBOXYMETHYLMETHYLBENZOTHIAZOLYLIDENE-

CAS Number:

52749-17-4

MDL Number:

MFCD00191900

IUPAC Name:

2-[2-[(E)-2-[(Z)-(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methyl-1,3-benzothiazol-3-ium-3-yl]acetate

InChI:

InChI=1S/C25H26N2O2S2/c1-5-18(13-23-26(6-2)19-11-16(3)7-9-21(19)30-23)14-24-27(15-25(28)29)20-12-17(4)8-10-22(20)31-24/h7-14H,5-6,15H2,1-4H3

InChI Key:

FRMNAFRWMAEMRV-UHFFFAOYSA-N

Complexity:

719

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

450.144g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

450.615g/mol

Monoisotopic Mass:

450.144g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

8.1