200,000+ products from a single source!
sales@angenechem.com
88626-05-5 | 1,3-Thiazin-1-ium, 2-(1,1-dimethylethyl)-4,6-diphenyl-, perchlorate
CAS No: 88626-05-5 Catalog No: AG004BSG MDL No:
Product Description
Catalog Number:
AG004BSG
Chemical Name:
1,3-Thiazin-1-ium, 2-(1,1-dimethylethyl)-4,6-diphenyl-, perchlorate
CAS Number:
88626-05-5
Molecular Formula:
C20H20ClNO4S
Molecular Weight:
405.8951
IUPAC Name:
2-tert-butyl-4,6-diphenyl-1,3-thiazin-1-ium;perchlorate
InChI:
InChI=1S/C20H20NS.ClHO4/c1-20(2,3)19-21-17(15-10-6-4-7-11-15)14-18(22-19)16-12-8-5-9-13-16;2-1(3,4)5/h4-14H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
GEFGXEFYPFUNHM-UHFFFAOYSA-M
SMILES:
CC(c1nc(cc([s+]1)c1ccccc1)c1ccccc1)(C)C.[O-][Cl](=O)(=O)=O
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.08g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.893g/mol
Monoisotopic Mass:
405.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.