| CAS Number | 82068-12-0 |
| Catalog Number | AG00G3WM(AGN-PC-0ULDET) |
| Chemical Name | 3-(thiophene-2-sulfonamido)propanoic acid |
| IUPAC Name | 3-(thiophen-2-ylsulfonylamino)propanoic acid |
| InChI | InChI=1S/C7H9NO4S2/c9-6(10)3-4-8-14(11,12)7-2-1-5-13-7/h1-2,5,8H,3-4H2,(H,9,10) |
| InChI Key | PGHCOXJSXMMPHU-UHFFFAOYSA-N |
| MDL Number | MFCD04623545 |
| Molecular Formula | C7H9NO4S2 |
| Molecular Weight | 235.2807 |
| SMILES | C1=CSC(=C1)S(=O)(=O)NCCC(=O)O |
| Synonyms | 3-(thiophene-2-sulfonamido)propanoic acid,
3-[(thien-2-ylsulfonyl)amino]propanoic acid,
82068-12-0,
3-(thiophen-2-ylsulfonylamino)propanoic Acid,
AC1LFS3R,
AC1Q75OX,
CTK7J4445,
ZINC224229,
N-(2-thienylsulfonyl)-beta-alanine,
AKOS000264136,
MCULE-4296212066,
NE17384,
EU-0099421,
EN300-08679,
3-[(Thiophen-2-ylsulfonyl)amino]propanoic acid,
AQ-390/43363946,
SR-01000592760,
J-511448,
SR-01000592760-1,
Z45532289,
CID758997,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.272g/mol |
| Monoisotopic Mass | 234.997g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number