| CAS Number | 139331-19-4 |
| Catalog Number | AG01C2HH(AGN-PC-00NZ0U) |
| Chemical Name | 2-(2-bromoethyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one |
| IUPAC Name | 2-(2-bromoethyl)-4H-1,4-benzothiazin-3-one |
| InChI | InChI=1S/C10H10BrNOS/c11-6-5-9-10(13)12-7-3-1-2-4-8(7)14-9/h1-4,9H,5-6H2,(H,12,13) |
| InChI Key | WRCXYTDZMOOWSK-UHFFFAOYSA-N |
| MDL Number | MFCD28140630 |
| Molecular Formula | C10H10BrNOS |
| Molecular Weight | 272.1615 |
| SMILES | BrCCC1C(=O)NC2=C(C=CC=C2)S1 |
| Synonyms | 139331-19-4,
2-(2-bromoethyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one,
SCHEMBL10730206,
WRCXYTDZMOOWSK-UHFFFAOYSA-N,
2-(2-bromoethyl)-2H-1,4-benzothiazin-3(4H)-one,
2-(2-bromoethyl)-2H-benzo[b][1,4]thiazin-3(4H)-one,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.16g/mol |
| Monoisotopic Mass | 270.967g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number