| CAS Number | 3448-98-4 |
| Catalog Number | AG01A6DM(AGN-PC-0L9MZD) |
| Chemical Name | [4-(Benzylsulfanyl)phenyl]methanol |
| IUPAC Name | (4-benzylsulfanylphenyl)methanol |
| InChI | InChI=1S/C14H14OS/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2 |
| InChI Key | QRLABRQRPREVFF-UHFFFAOYSA-N |
| MDL Number | MFCD18890899 |
| Molecular Formula | C14H14OS |
| Molecular Weight | 230.3254 |
| SMILES | OCC1=CC=C(SCC2=CC=CC=C2)C=C1 |
| Synonyms | [4-(benzylsulfanyl)phenyl]methanol,
3448-98-4,
(4-(benzylthio)phenyl)methanol,
(4-benzylsulfanylphenyl)methanol,
AC1N8TUO,
4-(Benzylthio)benzyl alcohol,
SCHEMBL710484,
QRLABRQRPREVFF-UHFFFAOYSA-N,
ZINC404190,
(4-benzylsulfanyl-phenyl)-methanol,
AKOS013127296,
MCULE-8365748333,
NE41876,
FT-0714151,
Z1688198424,
CID4349993,
|
| Complexity | 181 |
| 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