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28666-87-7 | Thiazolo[3,2-a]pyrimidin-4-ium, 3,5,7-trimethyl-, perchlorate (1:1)
CAS No: 28666-87-7 Catalog No: AG002W17 MDL No:
Product Description
Catalog Number:
AG002W17
Chemical Name:
Thiazolo[3,2-a]pyrimidin-4-ium, 3,5,7-trimethyl-, perchlorate (1:1)
CAS Number:
28666-87-7
Molecular Formula:
C9H11ClN2O4S
Molecular Weight:
278.7126
IUPAC Name:
3,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium;perchlorate
InChI:
InChI=1S/C9H11N2S.ClHO4/c1-6-4-7(2)11-8(3)5-12-9(11)10-6;2-1(3,4)5/h4-5H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
DMUGFZNXIQVFCJ-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1cc(C)[n+]2c(n1)scc2C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.013g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.707g/mol
Monoisotopic Mass:
278.013g/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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