| CAS Number | 1447671-89-7 |
| Catalog Number | AG01FFBE(AGN-PC-3H4A52) |
| Chemical Name | Pentyl 2-chlorophenylsulfide |
| IUPAC Name | 1-chloro-2-pentylsulfanylbenzene |
| InChI | InChI=1S/C11H15ClS/c1-2-3-6-9-13-11-8-5-4-7-10(11)12/h4-5,7-8H,2-3,6,9H2,1H3 |
| InChI Key | TWQSZABRWCPDFJ-UHFFFAOYSA-N |
| MDL Number | MFCD25371535 |
| Molecular Formula | C11H15ClS |
| Molecular Weight | 214.7548 |
| SMILES | CCCCCSc1ccccc1Cl |
| Synonyms | Pentyl 2-chlorophenylsulfide,
1447671-89-7,
ZINC95147698,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.751g/mol |
| Monoisotopic Mass | 214.058g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number