| CAS Number | 4946-15-0 |
| Catalog Number | AG00DD7P(AGN-PC-0KKLP9) |
| Chemical Name | p-tert-Butyl-thiophenol |
| IUPAC Name | 4-butylbenzenethiol |
| InChI | InChI=1S/C10H14S/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3 |
| InChI Key | PVQZSZNJUBQKJW-UHFFFAOYSA-N |
| MDL Number | MFCD00040230 |
| Molecular Formula | C10H14S |
| Molecular Weight | 166.2832 |
| SMILES | SC1=CC=C(CCCC)C=C1 |
| Synonyms | 4-butylbenzenethiol,
4-n-Butylthiophenol,
4946-15-0,
4-(1-BUTYL)THIOPHENOL,
Benzenethiol, 4-butyl-,
AC1MBVNN,
4-butylbenzene-1-thiol,
SCHEMBL185753,
CTK1D5288,
DTXSID80373845,
ZINC20431089,
AKOS009264464,
FS-6242,
Not Available,
p-tert-butyl-thiophenol,
CID2757347,
|
| Complexity | 93 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.282g/mol |
| Monoisotopic Mass | 166.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number