| CAS Number | 41940-49-2 |
| Catalog Number | AG01AIT9(AGN-PC-0WCNUE) |
| Chemical Name | Ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate |
| IUPAC Name | ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate |
| InChI | InChI=1S/C9H10N2O2S2/c1-3-13-9(12)7-5(2)6(14-4-10)8(11)15-7/h3,11H2,1-2H3 |
| InChI Key | ZVHGVWDEGAATHK-UHFFFAOYSA-N |
| MDL Number | MFCD00449094 |
| Molecular Formula | C9H10N2O2S2 |
| Molecular Weight | 242.3179 |
| SMILES | NC1=C(C(=C(S1)C(=O)OCC)C)SC#N |
| Synonyms | ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate,
41940-49-2,
C9H10N2O2S2,
ETHYL 5-AMINO-4-(CYANOSULFANYL)-3-METHYLTHIOPHENE-2-CARBOXYLATE,
AC1LHT5I,
ZINC374380,
STK543520,
AKOS005472880,
MCULE-7875728229,
NCGC00328370-01,
EN300-78940,
AB01324124-02,
AB01324124-03,
SR-01000326065,
SR-01000326065-1,
F2146-0047,
CID843475,
ZINC00374380,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.311g/mol |
| Monoisotopic Mass | 242.018g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 130A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number