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141074-77-3 | Thiazolium, 4-methyl-3-(phenylmethyl)-, iodide (1:1)
CAS No: 141074-77-3 Catalog No: AG001FTN MDL No:
Product Description
Catalog Number:
AG001FTN
Chemical Name:
Thiazolium, 4-methyl-3-(phenylmethyl)-, iodide (1:1)
CAS Number:
141074-77-3
Molecular Formula:
C11H12INS
Molecular Weight:
317.1892
IUPAC Name:
3-benzyl-4-methyl-1,3-thiazol-3-ium;iodide
InChI:
InChI=1S/C11H12NS.HI/c1-10-8-13-9-12(10)7-11-5-3-2-4-6-11;/h2-6,8-9H,7H2,1H3;1H/q+1;/p-1
InChI Key:
ISRIWFILJJRCBS-UHFFFAOYSA-M
SMILES:
Cc1csc[n+]1Cc1ccccc1.[I-]
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.188g/mol
Monoisotopic Mass:
316.974g/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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