| CAS Number | 1955519-93-3 |
| Catalog Number | AG01B2BC |
| Chemical Name | 1-[(3-Hydroxyphenyl)imino]-1lambda6-thiolan-1-one |
| IUPAC Name | 3-[(1-oxothiolan-1-ylidene)amino]phenol |
| InChI | InChI=1S/C10H13NO2S/c12-10-5-3-4-9(8-10)11-14(13)6-1-2-7-14/h3-5,8,12H,1-2,6-7H2 |
| InChI Key | PREBUROIKCTTJR-UHFFFAOYSA-N |
| MDL Number | MFCD29907371 |
| Molecular Formula | C10H13NO2S |
| Molecular Weight | 211.2807 |
| SMILES | OC1=CC(N=S2(CCCC2)=O)=CC=C1 |
| Synonyms | 1-[(3-hydroxyphenyl)imino]-1lambda6-thiolan-1-one,
1955519-93-3,
AKOS033922748,
ZINC334163860,
1-[(3-hydroxyphenyl)imino]-1lambda-thiolan-1-one,
Z2473347600,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.279g/mol |
| Monoisotopic Mass | 211.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number