| CAS Number | 152595-89-6 |
| Catalog Number | AG01ABV8 |
| Chemical Name | [4-(propan-2-ylsulfanyl)phenyl]methanol |
| IUPAC Name | (4-propan-2-ylsulfanylphenyl)methanol |
| InChI | InChI=1S/C10H14OS/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3 |
| InChI Key | PZQQNGZEYAUQAA-UHFFFAOYSA-N |
| MDL Number | MFCD18891322 |
| Molecular Formula | C10H14OS |
| Molecular Weight | 182.2826 |
| SMILES | CC(SC1=CC=C(CO)C=C1)C |
| Synonyms | [4-(propan-2-ylsulfanyl)phenyl]methanol,
152595-89-6,
Benzenemethanol, 4-[(1-methylethyl)thio]-,
SCHEMBL9485870,
4-(isopropylthio)benzyl alcohol,
PZQQNGZEYAUQAA-UHFFFAOYSA-N,
ZINC82529761,
AKOS013148241,
NE40451,
|
| Complexity | 117 |
| 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 | 3 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number