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52147-11-2 | 2-(methylsulfanyl)-3,4-dihydroquinazolin-1-ium iodide
CAS No: 52147-11-2 Catalog No: AG01BJDV MDL No:MFCD18083082
Product Description
Catalog Number:
AG01BJDV
Chemical Name:
2-(methylsulfanyl)-3,4-dihydroquinazolin-1-ium iodide
CAS Number:
52147-11-2
MDL Number:
MFCD18083082
IUPAC Name:
2-methylsulfanyl-1,4-dihydroquinazolin-3-ium;iodide
InChI:
InChI=1S/C9H10N2S.HI/c1-12-9-10-6-7-4-2-3-5-8(7)11-9;/h2-5H,6H2,1H3,(H,10,11);1H
InChI Key:
CUDKDZJMXDONQR-UHFFFAOYSA-N
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.165g/mol
Monoisotopic Mass:
305.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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