| CAS Number | 4209-18-1 |
| Catalog Number | AG003IYM(AGN-PC-0WCZFJ) |
| Chemical Name | 3-Benzyl-4-methylthiazol-3-ium chloride |
| IUPAC Name | 3-benzyl-4-methyl-1,3-thiazol-3-ium;chloride |
| InChI | InChI=1S/C11H12NS.ClH/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 | ZGBNEPNQIDHABT-UHFFFAOYSA-M |
| MDL Number | MFCD01318305 |
| Molecular Formula | C11H12ClNS |
| Molecular Weight | 225.7377 |
| SMILES | CC1=CSC=[N+]1CC2=CC=CC=C2.[Cl-] |
| Synonyms | 3-Benzyl-4-methylthiazolium Chloride,
4209-18-1,
3-Benzyl-4-methylthiazol-3-ium chloride,
3-Benzyl-4-methyl-1,3-thiazol-3-ium chloride,
ACMC-209jnh,
3-BENZYL-4-METHYLTHIAZOLIUMCHLORIDE,
SCHEMBL3935033,
CTK4I5700,
DTXSID90489269,
KS-000013EV,
ANW-29739,
MFCD01318305,
ACM4209181,
FCH1321691,
TC-118484,
I14-103027,
B1940,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.734g/mol |
| Monoisotopic Mass | 225.038g/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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Certificate of Analysis
Lot Number