200,000+ products from a single source!
sales@angenechem.com
28737-68-0 | Pyrimido[2,1-b]benzothiazol-5-ium, 2,4-dimethyl-, perchlorate (1:1)
CAS No: 28737-68-0 Catalog No: AG002WBA MDL No:
Product Description
Catalog Number:
AG002WBA
Chemical Name:
Pyrimido[2,1-b]benzothiazol-5-ium, 2,4-dimethyl-, perchlorate (1:1)
CAS Number:
28737-68-0
Molecular Formula:
C12H11ClN2O4S
Molecular Weight:
314.7447
IUPAC Name:
2,4-dimethylpyrimido[2,1-b][1,3]benzothiazol-5-ium;perchlorate
InChI:
InChI=1S/C12H11N2S.ClHO4/c1-8-7-9(2)14-10-5-3-4-6-11(10)15-12(14)13-8;2-1(3,4)5/h3-7H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
WUIDJRDIGDUPBW-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1cc(C)[n+]2c(n1)sc1c2cccc1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.013g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.74g/mol
Monoisotopic Mass:
314.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.