| CAS Number | 893652-36-3 |
| Catalog Number | AG003RMU(AGN-PC-05PE15) |
| Chemical Name | Methyl 2-amino-4-phenylthiazole-5-carboxylate |
| IUPAC Name | methyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C11H10N2O2S/c1-15-10(14)9-8(13-11(12)16-9)7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,13) |
| InChI Key | CEMUUPHRYZQKGV-UHFFFAOYSA-N |
| MDL Number | MFCD09952352 |
| Molecular Formula | C11H10N2O2S |
| Molecular Weight | 234.2743 |
| SMILES | COC(C1=C(C2=CC=CC=C2)N=C(N)S1)=O |
| Synonyms | METHYL 2-AMINO-4-PHENYLTHIAZOLE-5-CARBOXYLATE,
893652-36-3,
methyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate,
ACMC-209qzv,
SCHEMBL19669120,
CTK5G2943,
DTXSID00652907,
ANW-39257,
MFCD09952352,
ZINC26771223,
AKOS015854654,
RTR-028072,
AJ-82631,
AX8229478,
TR-028072,
ST24025210,
V8789,
I05-746,
C11H10N2O2S,
B-4590,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.273g/mol |
| Monoisotopic Mass | 234.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number