| CAS Number | 1041528-64-6 |
| Catalog Number | AG019UJG |
| Chemical Name | 5-(morpholine-4-sulfonyl)thiophene-3-carboxylic acid |
| IUPAC Name | 5-morpholin-4-ylsulfonylthiophene-3-carboxylic acid |
| InChI | InChI=1S/C9H11NO5S2/c11-9(12)7-5-8(16-6-7)17(13,14)10-1-3-15-4-2-10/h5-6H,1-4H2,(H,11,12) |
| InChI Key | FIUDTWUJEOHTDQ-UHFFFAOYSA-N |
| MDL Number | MFCD11122624 |
| Molecular Formula | C9H11NO5S2 |
| Molecular Weight | 277.3173 |
| SMILES | OC(C1C=C(S(N2CCOCC2)(=O)=O)SC=1)=O |
| Synonyms | 5-(morpholine-4-sulfonyl)thiophene-3-carboxylic acid,
1041528-64-6,
AC1Q741V,
CTK7J0723,
ZINC21512524,
AKOS009053849,
MCULE-7512513780,
NE49829,
EN300-41869,
AB01000132-01,
Z133614624,
|
| Complexity | 385 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.309g/mol |
| Monoisotopic Mass | 277.008g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number