200,000+ products from a single source!
sales@angenechem.com
68006-75-7 | 3-ETHYL-2-[(3-ETHYL-3H-BENZOTHIAZOL-2-YLIDENE)METHYL]BENZOXAZOLIUM IODIDE
CAS No: 68006-75-7 Catalog No: AG005NX5 MDL No:
Product Description
Catalog Number:
AG005NX5
Chemical Name:
3-ETHYL-2-[(3-ETHYL-3H-BENZOTHIAZOL-2-YLIDENE)METHYL]BENZOXAZOLIUM IODIDE
CAS Number:
68006-75-7
Molecular Formula:
C19H19IN2OS
Molecular Weight:
450.3364
IUPAC Name:
(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzoxazole;iodide
InChI:
InChI=1S/C19H19N2OS.HI/c1-3-20-14-9-5-7-11-16(14)22-18(20)13-19-21(4-2)15-10-6-8-12-17(15)23-19;/h5-13H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
ACCFQBRIRFGFKE-UHFFFAOYSA-M
SMILES:
CCn1c(=Cc2oc3c([n+]2CC)cccc3)sc2c1cccc2.[I-]
EC Number:
268-138-6
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
450.026g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
450.338g/mol
Monoisotopic Mass:
450.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.