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143516-40-9 | Thiazolium, 5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-, iodide
CAS No: 143516-40-9 Catalog No: AG006US1 MDL No:
Product Description
Catalog Number:
AG006US1
Chemical Name:
Thiazolium, 5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-, iodide
CAS Number:
143516-40-9
Molecular Formula:
C13H16INOS
Molecular Weight:
361.2417
IUPAC Name:
2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;iodide
InChI:
InChI=1S/C13H16NOS.HI/c1-11-13(7-8-15)16-10-14(11)9-12-5-3-2-4-6-12;/h2-6,10,15H,7-9H2,1H3;1H/q+1;/p-1
InChI Key:
REOWLIGJNJGHPP-UHFFFAOYSA-M
SMILES:
OCCc1sc[n+](c1C)Cc1ccccc1.[I-]
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.241g/mol
Monoisotopic Mass:
361g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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