| CAS Number | 113214-30-5 |
| Catalog Number | AG01FC6D(AGN-PC-0KGJ5I) |
| Chemical Name | 5-Methyl-4-phenyl-2-(2-thienyl)thiazole |
| IUPAC Name | 5-methyl-4-phenyl-2-thiophen-2-yl-1,3-thiazole |
| InChI | InChI=1S/C14H11NS2/c1-10-13(11-6-3-2-4-7-11)15-14(17-10)12-8-5-9-16-12/h2-9H,1H3 |
| InChI Key | GJCUAOPBECGQBG-UHFFFAOYSA-N |
| MDL Number | MFCD06368612 |
| Molecular Formula | C14H11NS2 |
| Molecular Weight | 257.3738 |
| SMILES | CC1=C(N=C(S1)C=1SC=CC1)C1=CC=CC=C1 |
| Synonyms | 5-Methyl-4-phenyl-2-(2-thienyl)thiazole,
113214-30-5,
5-Methyl-4-phenyl-2-(thiophen-2-yl)thiazole,
AC1M7P6M,
SCHEMBL10717905,
HMS1780A08,
ZINC3330117,
MFCD06368612,
AKOS001268130,
MCULE-2719817258,
5-methyl-4-phenyl-2-thiophen-2-yl-1,3-thiazole,
5-Methyl-4-Phenyl-2-(2-thienyl)-thiazole, AldrichCPR,
ZINC03330117,
CID2446133,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.369g/mol |
| Monoisotopic Mass | 257.033g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number