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28666-85-5 | Thiazolo[3,2-a]pyrimidin-4-ium, 5,7-dimethyl-, perchlorate (1:1)
CAS No: 28666-85-5 Catalog No: AG002W18 MDL No:
Product Description
Catalog Number:
AG002W18
Chemical Name:
Thiazolo[3,2-a]pyrimidin-4-ium, 5,7-dimethyl-, perchlorate (1:1)
CAS Number:
28666-85-5
Molecular Formula:
C8H9ClN2O4S
Molecular Weight:
264.6861
IUPAC Name:
5,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium;perchlorate
InChI:
InChI=1S/C8H9N2S.ClHO4/c1-6-5-7(2)10-3-4-11-8(10)9-6;2-1(3,4)5/h3-5H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
WLYMMCRFEDJCEG-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1cc(C)[n+]2c(n1)scc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.997g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.68g/mol
Monoisotopic Mass:
263.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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