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144753-66-2 | Thiazolium, 3-ethyl-4,5-dihydro-4,5-diphenyl-, iodide (1:1)
CAS No: 144753-66-2 Catalog No: AG001K4I MDL No:
Product Description
Catalog Number:
AG001K4I
Chemical Name:
Thiazolium, 3-ethyl-4,5-dihydro-4,5-diphenyl-, iodide (1:1)
CAS Number:
144753-66-2
Molecular Formula:
C17H18INS
Molecular Weight:
395.3010
IUPAC Name:
3-ethyl-4,5-diphenyl-4,5-dihydro-1,3-thiazol-3-ium;iodide
InChI:
InChI=1S/C17H18NS.HI/c1-2-18-13-19-17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14;/h3-13,16-17H,2H2,1H3;1H/q+1;/p-1
InChI Key:
NGPVHDLDDPEXPJ-UHFFFAOYSA-M
SMILES:
CC[N+]1=CSC(C1c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.02g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.302g/mol
Monoisotopic Mass:
395.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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