| CAS Number | 34263-64-4 |
| Catalog Number | AG01EAAT(AGN-PC-0JTFQF) |
| Chemical Name | 3-Ethoxybenzo[d]isothiazole |
| IUPAC Name | 3-ethoxy-1,2-benzothiazole |
| InChI | InChI=1S/C9H9NOS/c1-2-11-9-7-5-3-4-6-8(7)12-10-9/h3-6H,2H2,1H3 |
| InChI Key | WELJACUPHOSDSL-UHFFFAOYSA-N |
| MDL Number | MFCD28663692 |
| Molecular Formula | C9H9NOS |
| Molecular Weight | 179.2389 |
| SMILES | CCOC1C2=C(C=CC=C2)SN=1 |
| Synonyms | 1,2-Benzisothiazole, 3-ethoxy-,
34263-64-4,
3-Ethoxybenzo[d]isothiazole,
3-Ethoxy-1,2-benxisothiazole,
AC1LC0EM,
3-ethoxy-1,2-benzothiazole,
CHEMHERE CHEM96645,
3-Ethoxy-1,2-benzisothiazole,
SCHEMBL8373115,
CTK1B1295,
DTXSID70343779,
WELJACUPHOSDSL-UHFFFAOYSA-N,
AKOS030616222,
1,2-Benzisothiazol-3-yl ethyl ether #,
CID592150,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.237g/mol |
| Monoisotopic Mass | 179.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number