| CAS Number | 1342852-91-8 |
| Catalog Number | AG01ABWK |
| Chemical Name | [4-(Propylsulfanyl)phenyl]methanol |
| IUPAC Name | (4-propylsulfanylphenyl)methanol |
| InChI | InChI=1S/C10H14OS/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,11H,2,7-8H2,1H3 |
| InChI Key | RYWYOZGLMRKATO-UHFFFAOYSA-N |
| MDL Number | MFCD18890848 |
| Molecular Formula | C10H14OS |
| Molecular Weight | 182.2826 |
| SMILES | CCCSC1=CC=C(CO)C=C1 |
| Synonyms | [4-(propylsulfanyl)phenyl]methanol,
1342852-91-8,
(4-(Propylthio)phenyl)methanol,
4-n-Propylthiobenzyl alcohol,
SCHEMBL13652188,
ZINC82616594,
AKOS013125452,
NE39304,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.281g/mol |
| Monoisotopic Mass | 182.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number