| CAS Number | 59083-33-9 |
| Catalog Number | AG00F22G(AGN-PC-0NI9A6) |
| Chemical Name | [3-(methylsulfanyl)phenyl]methanol |
| IUPAC Name | (3-methylsulfanylphenyl)methanol |
| InChI | InChI=1S/C8H10OS/c1-10-8-4-2-3-7(5-8)6-9/h2-5,9H,6H2,1H3 |
| InChI Key | XEYJXUMJQBGDEL-UHFFFAOYSA-N |
| MDL Number | MFCD11113493 |
| Molecular Formula | C8H10OS |
| Molecular Weight | 154.2294 |
| SMILES | OCC1=CC=CC(SC)=C1 |
| Synonyms | 59083-33-9,
3-(Methylthio)benzyl alcohol,
Benzenemethanol, 3-(methylthio)-,
[3-(methylsulfanyl)phenyl]methanol,
(3-methylsulfanylphenyl)methanol,
(3-Methylsulfanyl-phenyl)-methanol,
SCHEMBL95655,
CTK1E8189,
DTXSID70482657,
XEYJXUMJQBGDEL-UHFFFAOYSA-N,
3-hydroxymethyl-1-methylthiobenzene,
ZINC39192113,
AKOS006308223,
FT-0726728,
(3-(methylthio)phenyl)methanol,
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| Complexity | 95.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.227g/mol |
| Monoisotopic Mass | 154.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number