| CAS Number | 1373028-76-2 |
| Catalog Number | AG00HUUQ(AGN-PC-0WG3Z2) |
| Chemical Name | 2-(1-Phenylethyl)-2,3-dihydroisothiazole 1,1-dioxide |
| IUPAC Name | 2-(1-phenylethyl)-3H-1,2-thiazole 1,1-dioxide |
| InChI | InChI=1S/C11H13NO2S/c1-10(11-6-3-2-4-7-11)12-8-5-9-15(12,13)14/h2-7,9-10H,8H2,1H3 |
| InChI Key | WRMQGYALQVAIKK-UHFFFAOYSA-N |
| MDL Number | MFCD21362386 |
| Molecular Formula | C11H13NO2S |
| Molecular Weight | 223.2914 |
| SMILES | CC(N1CC=CS1(=O)=O)c1ccccc1 |
| Synonyms | 1373028-76-2,
2-(1-PHENYL-ETHYL)-2,3-DIHYDRO-ISOTHIAZOLE 1,1-DIOXIDE,
2-(1-Phenylethyl)-2,3-dihydroisothiazole 1,1-dioxide,
MFCD21362386,
AKOS027251601,
AM805837,
CS-0037095,
2-(1-Phenyl-ethyl)-2,3-dihydro-isothiazole1,1-dioxide,
2-(1-phenylethyl)-3H-1,2-thiazole 1,1-dioxide,
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| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.29g/mol |
| Monoisotopic Mass | 223.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number