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24840-73-1 | Thiazolium, 3-ethyl-2-methyl-4-phenyl-, iodide (1:1)
CAS No: 24840-73-1 Catalog No: AG002PLT MDL No:
Product Description
Catalog Number:
AG002PLT
Chemical Name:
Thiazolium, 3-ethyl-2-methyl-4-phenyl-, iodide (1:1)
CAS Number:
24840-73-1
Molecular Formula:
C12H14INS
Molecular Weight:
331.2157
IUPAC Name:
3-ethyl-2-methyl-4-phenyl-1,3-thiazol-3-ium;iodide
InChI:
InChI=1S/C12H14NS.HI/c1-3-13-10(2)14-9-12(13)11-7-5-4-6-8-11;/h4-9H,3H2,1-2H3;1H/q+1;/p-1
InChI Key:
SIGMOMHDFJHHJB-UHFFFAOYSA-M
SMILES:
CC[n+]1c(C)scc1c1ccccc1.[I-]
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.215g/mol
Monoisotopic Mass:
330.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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