| CAS Number | 149588-08-9 |
| Catalog Number | AG019IB3(AGN-PC-0KFS71) |
| Chemical Name | Ethyl 2-amino-4-cyclohexylthiophene-3-carboxylate |
| IUPAC Name | ethyl 2-amino-4-cyclohexylthiophene-3-carboxylate |
| InChI | InChI=1S/C13H19NO2S/c1-2-16-13(15)11-10(8-17-12(11)14)9-6-4-3-5-7-9/h8-9H,2-7,14H2,1H3 |
| InChI Key | WYJCNFXJKNFUBR-UHFFFAOYSA-N |
| MDL Number | MFCD04621449 |
| Molecular Formula | C13H19NO2S |
| Molecular Weight | 253.3605 |
| SMILES | O=C(C1=C(N)SC=C1C2CCCCC2)OCC |
| Synonyms | ethyl 2-amino-4-cyclohexylthiophene-3-carboxylate,
149588-08-9,
SCHEMBL2181231,
ZINC3277954,
AKOS000117731,
EN300-06224,
SR-01000046912,
SR-01000046912-1,
AC1M68OF,
AC1Q336E,
CID2393448,
2-Amino-4-cyclohexyl-thiophene-3-carboxylic acid ethyl ester,
Ethyl 2-amino-4-cyclohexyl-thiophene-3-carboxylate,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.11365g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.36g/mol |
| Monoisotopic Mass | 253.11365g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number