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114153-73-0

114153-73-0 | Thiazolo[3,2-a]pyrimidin-4-ium, 7-(4-methylphenyl)-2-phenyl-, chloride (1:1)

CAS No: 114153-73-0 Catalog No: AG000AO4 MDL No:

Product Description

Catalog Number:
AG000AO4
Chemical Name:
Thiazolo[3,2-a]pyrimidin-4-ium, 7-(4-methylphenyl)-2-phenyl-, chloride (1:1)
CAS Number:
114153-73-0
Molecular Formula:
C19H15ClN2S
Molecular Weight:
338.8538
IUPAC Name:
7-(4-methylphenyl)-2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium;chloride
InChI:
InChI=1S/C19H15N2S.ClH/c1-14-7-9-15(10-8-14)17-11-12-21-13-18(22-19(21)20-17)16-5-3-2-4-6-16;/h2-13H,1H3;1H/q+1;/p-1
InChI Key:
XZPYXLSRLWEMEO-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)c1cc[n+]2c(n1)sc(c2)c1ccccc1.[Cl-]

Properties

Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.064g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.853g/mol
Monoisotopic Mass:
338.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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