| CAS Number | 31891-08-4 |
| Catalog Number | AG00C8PW(AGN-PC-0WB5P6) |
| Chemical Name | isopropyl 2-aminothiophene-3-carboxylate |
| IUPAC Name | propan-2-yl 2-aminothiophene-3-carboxylate |
| InChI | InChI=1S/C8H11NO2S/c1-5(2)11-8(10)6-3-4-12-7(6)9/h3-5H,9H2,1-2H3 |
| InChI Key | XDZGFDGFDORWCN-UHFFFAOYSA-N |
| MDL Number | MFCD03422703 |
| Molecular Formula | C8H11NO2S |
| Molecular Weight | 185.2434 |
| SMILES | C1(C=CSC=1N)C(=O)OC(C)C |
| Synonyms | isopropyl 2-aminothiophene-3-carboxylate,
31891-08-4,
propan-2-yl 2-aminothiophene-3-carboxylate,
AC1NCID4,
SCHEMBL7799474,
CTK6B0564,
DTXSID20403837,
ALBB-002019,
ZINC2558534,
BBL016877,
MFCD03422703,
STK436412,
AKOS000305089,
MCULE-5465180950,
AJ-40175,
methylethyl 2-aminothiophene-3-carboxylate,
TR-052212,
ST50843940,
Y-0572,
isopropyl 2-aminothiophene-3-carboxylate(SALTDATA,
CID4512126,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.241g/mol |
| Monoisotopic Mass | 185.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number