| CAS Number | 4521-45-3 |
| Catalog Number | AG01A4VW(AGN-PC-0NDTKR) |
| Chemical Name | [2-(Benzylsulfanyl)phenyl]methanol |
| IUPAC Name | (2-benzylsulfanylphenyl)methanol |
| InChI | InChI=1S/C14H14OS/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2 |
| InChI Key | JSUMKLFZCNFVRS-UHFFFAOYSA-N |
| MDL Number | MFCD01830350 |
| Molecular Formula | C14H14OS |
| Molecular Weight | 230.3254 |
| SMILES | OCC1=C(SCC2=CC=CC=C2)C=CC=C1 |
| Synonyms | [2-(benzylsulfanyl)phenyl]methanol,
4521-45-3,
(2-benzylsulfanylphenyl)methanol,
2-(Benzylthio)benzyl alcohol,
SCHEMBL1903485,
JSUMKLFZCNFVRS-UHFFFAOYSA-N,
ZINC5773880,
AKOS013125137,
NE59639,
CID10977293,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.325g/mol |
| Monoisotopic Mass | 230.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number