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16206-89-6 | Thiazolium, 4,5-dimethyl-3-(phenylmethyl)-, chloride (1:1)
CAS No: 16206-89-6 Catalog No: AG001SPR MDL No:
Product Description
Catalog Number:
AG001SPR
Chemical Name:
Thiazolium, 4,5-dimethyl-3-(phenylmethyl)-, chloride (1:1)
CAS Number:
16206-89-6
Molecular Formula:
C12H14ClNS
Molecular Weight:
239.7643
IUPAC Name:
3-benzyl-4,5-dimethyl-1,3-thiazol-3-ium;chloride
InChI:
InChI=1S/C12H14NS.ClH/c1-10-11(2)14-9-13(10)8-12-6-4-3-5-7-12;/h3-7,9H,8H2,1-2H3;1H/q+1;/p-1
InChI Key:
CRFZELMKMOWRHR-UHFFFAOYSA-M
SMILES:
Cc1sc[n+](c1C)Cc1ccccc1.[Cl-]
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.761g/mol
Monoisotopic Mass:
239.054g/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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