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96160-01-9 | 4,5-DIHYDRO-3-METHYL-2-(4-METHYLPHENYL)THIAZOLIUM IODIDE
CAS No: 96160-01-9 Catalog No: AG006SFC MDL No:
Product Description
Catalog Number:
AG006SFC
Chemical Name:
4,5-DIHYDRO-3-METHYL-2-(4-METHYLPHENYL)THIAZOLIUM IODIDE
CAS Number:
96160-01-9
Molecular Formula:
C11H14INS
Molecular Weight:
319.2050
IUPAC Name:
3-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-3-ium;iodide
InChI:
InChI=1S/C11H14NS.HI/c1-9-3-5-10(6-4-9)11-12(2)7-8-13-11;/h3-6H,7-8H2,1-2H3;1H/q+1;/p-1
InChI Key:
MSLIIMQZEBURFZ-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)C1=[N+](C)CCS1.[I-]
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.204g/mol
Monoisotopic Mass:
318.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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