| CAS Number | 936362-83-3 |
| Catalog Number | AG01A9X6 |
| Chemical Name | 1-Chloro-2-[(3-chloropropyl)sulfanyl]benzene |
| IUPAC Name | 1-chloro-2-(3-chloropropylsulfanyl)benzene |
| InChI | InChI=1S/C9H10Cl2S/c10-6-3-7-12-9-5-2-1-4-8(9)11/h1-2,4-5H,3,6-7H2 |
| InChI Key | CJKMDEQMVRWVRR-UHFFFAOYSA-N |
| MDL Number | MFCD11126918 |
| Molecular Formula | C9H10Cl2S |
| Molecular Weight | 221.1467 |
| SMILES | ClCCCSC1=C(Cl)C=CC=C1 |
| Synonyms | 1-chloro-2-[(3-chloropropyl)sulfanyl]benzene,
936362-83-3,
AC1Q3UP2,
SCHEMBL2655184,
CJKMDEQMVRWVRR-UHFFFAOYSA-N,
ZINC19803049,
AKOS000200750,
NE22172,
1-chloro-2-(3-chloropropylsulfanyl)benzene,
EN300-66434,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.139g/mol |
| Monoisotopic Mass | 219.988g/mol |
| Rotatable Bond Count | 4 |
| 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