| CAS Number | 691393-97-2 |
| Catalog Number | AG00FHW5(AGN-PC-0WG49I) |
| Chemical Name | 3-Amino-5-(4-ethoxyphenyl)thiophene-2-carboxylic acid methyl ester |
| IUPAC Name | methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate |
| InChI | InChI=1S/C14H15NO3S/c1-3-18-10-6-4-9(5-7-10)12-8-11(15)13(19-12)14(16)17-2/h4-8H,3,15H2,1-2H3 |
| InChI Key | KOGXJKJPBBNEFK-UHFFFAOYSA-N |
| MDL Number | MFCD04116401 |
| Molecular Formula | C14H15NO3S |
| Molecular Weight | 277.3388 |
| SMILES | C1(=C(N)C=C(C2C=CC(OCC)=CC=2)S1)C(OC)=O |
| Synonyms | methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate,
691393-97-2,
3-Amino-5-(4-ethoxyphenyl)thiophene-2-carboxylic acid methyl ester,
3-AMINO-5-(4-ETHOXYPHENYL)THIOPHENE-2-CARBOXYLICACID METHYL ESTER,
AC1MBTIZ,
CTK6G1809,
Methyl 3-amino-5-(4-ethoxyphenyl)-2-thiophenecarboxylate,
HMS1631I11,
ZINC2528654,
MFCD04116401,
AKOS001849653,
MCULE-2435068703,
TZ001075,
CS-0036955,
SR-01000138227,
SR-01000138227-1,
Not Available,
ZINC02528654,
CID2756418,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.338g/mol |
| Monoisotopic Mass | 277.077g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number