| CAS Number | 934180-38-8 |
| Catalog Number | AG01C5DI(AGN-PC-0WCZ0S) |
| Chemical Name | Benzo[d]isothiazol-6-ol |
| IUPAC Name | 1,2-benzothiazol-6-ol |
| InChI | InChI=1S/C7H5NOS/c9-6-2-1-5-4-8-10-7(5)3-6/h1-4,9H |
| InChI Key | MIBMCYHOBUOZPK-UHFFFAOYSA-N |
| MDL Number | MFCD24716655 |
| Molecular Formula | C7H5NOS |
| Molecular Weight | 151.1857 |
| SMILES | OC1=CC2=C(C=NS2)C=C1 |
| Synonyms | benzo[d]isothiazol-6-ol,
934180-38-8,
1,2-benzothiazol-6-ol,
1,2-Benzisothiazol-6-ol,
1,2-benzoisothiazol-6-ol,
SCHEMBL911755,
MIBMCYHOBUOZPK-UHFFFAOYSA-N,
AKOS023556918,
ZINC107117177,
Z2465620032,
Benzo[d]isothiazol-6-amine,
97050-36-7,
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| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.183g/mol |
| Monoisotopic Mass | 151.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number