| CAS Number | 750598-98-2 |
| Catalog Number | AG00ICLG |
| Chemical Name | 4-ethyl-5-propylthiophene-2-carboxylic acid |
| IUPAC Name | 4-ethyl-5-propylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C10H14O2S/c1-3-5-8-7(4-2)6-9(13-8)10(11)12/h6H,3-5H2,1-2H3,(H,11,12) |
| InChI Key | QIFYZRSSOKPILW-UHFFFAOYSA-N |
| MDL Number | MFCD06335032 |
| Molecular Formula | C10H14O2S |
| Molecular Weight | 198.2820 |
| SMILES | CCCC1=C(CC)C=C(C(O)=O)S1 |
| Synonyms | 4-ethyl-5-propylthiophene-2-carboxylic acid,
750598-98-2,
CHEMBL2324856,
AC1M2AWM,
AC1Q2USA,
SCHEMBL16755964,
CTK6D5189,
ZINC2650683,
BDBM50427204,
MFCD06335032,
AKOS008965284,
MCULE-2570977236,
NE23919,
DA-03677,
FT-0749025,
EN300-08853,
Z55928923,
CID2113906,
4-ethyl-5-propyl-thiophene-2-carboxylic Acid,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.28g/mol |
| Monoisotopic Mass | 198.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number