| CAS Number | 1384429-07-5 |
| Catalog Number | AG019ZIS(AGN-PC-0WOV8G) |
| Chemical Name | 5-(aminomethyl)-2,3-dihydro-1lambda6-benzothiophene-1,1-dione hydrochloride |
| IUPAC Name | (1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C9H11NO2S.ClH/c10-6-7-1-2-9-8(5-7)3-4-13(9,11)12;/h1-2,5H,3-4,6,10H2;1H |
| InChI Key | IIVRFKLIIDOYBJ-UHFFFAOYSA-N |
| MDL Number | MFCD22369970 |
| Molecular Formula | C9H12ClNO2S |
| Molecular Weight | 233.7151 |
| SMILES | Cl.NCC1=CC2CCS(=O)(=O)C=2C=C1 |
| Synonyms | 1384429-07-5,
5-(aminomethyl)-2,3-dihydro-1lambda6-benzothiophene-1,1-dione hydrochloride,
5-(aminomethyl)-2,3-dihydro-1$l^{6}-benzothiophene-1,1-dione hydrochloride,
5-(Aminomethyl)-2,3-dihydrobenzo[b]thiophene 1,1-dioxide hydrochloride,
AKOS026744338,
MCULE-3559459723,
NE48565,
Z1415893822,
5-(aminomethyl)-2,3-dihydro-1??-benzothiophene-1,1-dione hydrochloride,
5-(aminomethyl)-2,3-dihydro-1lambda-benzothiophene-1,1-dione hydrochloride,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.71g/mol |
| Monoisotopic Mass | 233.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number