| CAS Number | 5023-60-9 |
| Catalog Number | AG01EW7J(AGN-PC-0ND6WI) |
| Chemical Name | Benzyl(p-tolyl)sulfane |
| IUPAC Name | 1-benzylsulfanyl-4-methylbenzene |
| InChI | InChI=1S/C14H14S/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
| InChI Key | VCMADTQZCBWKAB-UHFFFAOYSA-N |
| MDL Number | MFCD00027606 |
| Molecular Formula | C14H14S |
| Molecular Weight | 214.3260 |
| SMILES | S(C1C=CC(C)=CC=1)CC1C=CC=CC=1 |
| Synonyms | Benzyl(p-tolyl)sulfane,
5023-60-9,
benzyl 4-methylphenyl sulfide,
1-(benzylsulfanyl)-4-methylbenzene,
1-Methyl-4-[(phenylmethyl)thio]benzene,
Benzene, 1-methyl-4-[(phenylmethyl)thio]-,
4-(Benzylthio)toluene,
p-Tolyl benzyl sulfide,
AC1Q2N2A,
Benzyl 4-methylphenyl thioether,
SCHEMBL3380070,
[[(4-Tolyl)thio]methyl]benzene,
Benzyl (4-methylphenyl) sulfide,
CTK1G7172,
DTXSID30449049,
ZINC2167494,
1-benzylsulfanyl-4-methyl-benzene,
CID10940369,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.326g/mol |
| Monoisotopic Mass | 214.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number