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95773-33-4 | Quinazolinium, 4-(methylthio)-1-phenyl-, iodide
CAS No: 95773-33-4 Catalog No: AG006AZQ MDL No:
Product Description
Catalog Number:
AG006AZQ
Chemical Name:
Quinazolinium, 4-(methylthio)-1-phenyl-, iodide
CAS Number:
95773-33-4
Molecular Formula:
C15H13IN2S
Molecular Weight:
380.2466
IUPAC Name:
4-methylsulfanyl-1-phenylquinazolin-1-ium;iodide
InChI:
InChI=1S/C15H13N2S.HI/c1-18-15-13-9-5-6-10-14(13)17(11-16-15)12-7-3-2-4-8-12;/h2-11H,1H3;1H/q+1;/p-1
InChI Key:
PYPUWQRDVNWUDN-UHFFFAOYSA-M
SMILES:
CSc1nc[n+](c2c1cccc2)c1ccccc1.[I-]
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.984g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.247g/mol
Monoisotopic Mass:
379.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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