| CAS Number | 126828-31-7 |
| Catalog Number | AG01B4UJ |
| Chemical Name | 2-(1,3-benzoxazol-2-ylsulfanyl)ethan-1-ol |
| IUPAC Name | 2-(1,3-benzoxazol-2-ylsulfanyl)ethanol |
| InChI | InChI=1S/C9H9NO2S/c11-5-6-13-9-10-7-3-1-2-4-8(7)12-9/h1-4,11H,5-6H2 |
| InChI Key | HRYXZHYVWWYFPY-UHFFFAOYSA-N |
| MDL Number | MFCD02042509 |
| Molecular Formula | C9H9NO2S |
| Molecular Weight | 195.2383 |
| SMILES | OCCSC1=NC2=CC=CC=C2O1 |
| Synonyms | 2-(1,3-benzoxazol-2-ylsulfanyl)ethan-1-ol,
126828-31-7,
Ethanol, 2-(2-benzoxazolylthio)-,
ZINC4853711,
AKOS008979050,
AC1MJZU7,
2-benzooxazol-2-ylsulfanylethanol,
CID3121351,
2-(1,3-benzoxazol-2-ylsulfanyl)ethanol,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.0354g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.24g/mol |
| Monoisotopic Mass | 195.0354g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number