| CAS Number | 1170959-39-3 |
| Catalog Number | AG019LLC |
| Chemical Name | (5-(Pyrrolidin-1-ylsulfonyl)thiophen-2-yl)methanamine hydrochloride |
| IUPAC Name | (5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C9H14N2O2S2.ClH/c10-7-8-3-4-9(14-8)15(12,13)11-5-1-2-6-11;/h3-4H,1-2,5-7,10H2;1H |
| InChI Key | KBGSDKNHNJYEIK-UHFFFAOYSA-N |
| MDL Number | MFCD09971536 |
| Molecular Formula | C9H15ClN2O2S2 |
| Molecular Weight | 282.8106 |
| SMILES | Cl.N1(CCCC1)S(=O)(=O)C1=CC=C(S1)CN |
| Synonyms | [5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]methanamine hydrochloride,
1170959-39-3,
[5-(pyrrolidin-1-ylsulfonyl)thien-2-yl]methylamine hydrochloride,
AC1Q3D82,
MCULE-7585485494,
NE61644,
EN300-31678,
Z355423262,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.801g/mol |
| Monoisotopic Mass | 282.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number