| CAS Number | 16155-32-1 |
| Catalog Number | AG01FF7B(AGN-PC-00851L) |
| Chemical Name | (4-chlorophenyl)(propyl)sulfane |
| IUPAC Name | 1-chloro-4-propylsulfanylbenzene |
| InChI | InChI=1S/C9H11ClS/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3 |
| InChI Key | UIVFJAFRNBDAEM-UHFFFAOYSA-N |
| MDL Number | MFCD26792616 |
| Molecular Formula | C9H11ClS |
| Molecular Weight | 186.7016 |
| SMILES | c1c(ccc(c1)SCCC)Cl |
| Synonyms | p-Chlorophenyl propyl sulfide,
Propyl(4-chlorophenyl) sulfide,
SCHEMBL3883354,
ZINC96024730,
16155-32-1,
1-CHLORO-4-(PROPYLSULFANYL)BENZENE,
(4-chlorophenyl)(propyl)sulfane,
1-chloro-4-propylsulfanyl-benzene,
CID11389837,
|
| Complexity | 97.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.697g/mol |
| Monoisotopic Mass | 186.027g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number