| CAS Number | 34560-81-1 |
| Catalog Number | AG01EVMB(AGN-PC-0JLLZZ) |
| Chemical Name | 2-Chlorophenyl propyl sulfide |
| IUPAC Name | 1-chloro-2-propylsulfanylbenzene |
| InChI | InChI=1S/C9H11ClS/c1-2-7-11-9-6-4-3-5-8(9)10/h3-6H,2,7H2,1H3 |
| InChI Key | OZBYQKIAXXILTR-UHFFFAOYSA-N |
| MDL Number | MFCD25371538 |
| Molecular Formula | C9H11ClS |
| Molecular Weight | 186.7016 |
| SMILES | S(C1C=CC=CC=1Cl)CCC |
| Synonyms | o-Chlorophenyl propyl sulfide,
34560-81-1,
2-Chlorophenyl propyl sulfide,
Benzene, 1-chloro-2-(propylthio)-,
Sulfide, o-chlorophenyl propyl,
AC1L3NFQ,
2-Chlorophenylpropyl sulfide,
DTXSID4067856,
SCHEMBL10144132,
1-chloro-2-propylsulfanylbenzene,
CTK1C2943,
1-chloro-2-propylsulfanyl-benzene,
OZBYQKIAXXILTR-UHFFFAOYSA-N,
1-chloro-2-(propylsulfanyl)benzene,
ZINC5837378,
C9-H11-Cl-S,
CID118702,
|
| Complexity | 106 |
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number