| CAS Number | 1094283-18-7 |
| Catalog Number | AG019Y5P |
| Chemical Name | 3-(Thiomorpholine-4-sulfonyl)thiophene-2-carboxylic acid |
| IUPAC Name | 3-thiomorpholin-4-ylsulfonylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C9H11NO4S3/c11-9(12)8-7(1-4-16-8)17(13,14)10-2-5-15-6-3-10/h1,4H,2-3,5-6H2,(H,11,12) |
| InChI Key | HCQDQISFSRNYGL-UHFFFAOYSA-N |
| MDL Number | MFCD11186167 |
| Molecular Formula | C9H11NO4S3 |
| Molecular Weight | 293.3829 |
| SMILES | OC(C1=C(S(N2CCSCC2)(=O)=O)C=CS1)=O |
| Synonyms | 3-(thiomorpholine-4-sulfonyl)thiophene-2-carboxylic acid,
1094283-18-7,
AC1Q725X,
CTK7J1488,
ZINC36906487,
AKOS005880537,
MCULE-2743981953,
NE25037,
EN300-57140,
Z234895149,
|
| Complexity | 386 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.37g/mol |
| Monoisotopic Mass | 292.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 137A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number