| CAS Number | 15894-25-4 |
| Catalog Number | AG01ACFP(AGN-PC-0NKDB3) |
| Chemical Name | 1-Chloro-4-{[(chloromethyl)sulfanyl]methyl}benzene |
| IUPAC Name | 1-chloro-4-(chloromethylsulfanylmethyl)benzene |
| InChI | InChI=1S/C8H8Cl2S/c9-6-11-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2 |
| InChI Key | RXWDSKLJNWPMGQ-UHFFFAOYSA-N |
| MDL Number | MFCD27920046 |
| Molecular Formula | C8H8Cl2S |
| Molecular Weight | 207.1201 |
| SMILES | ClCSCC1=CC=C(Cl)C=C1 |
| Synonyms | 1-chloro-4-{[(chloromethyl)sulfanyl]methyl}benzene,
15894-25-4,
SCHEMBL11232421,
RXWDSKLJNWPMGQ-UHFFFAOYSA-N,
4-chlorobenzyl chloromethyl sulfide,
ZINC39297879,
NE45678,
(4-chlorobenzyl)(chloromethyl)sulfane,
|
| Complexity | 100 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.112g/mol |
| Monoisotopic Mass | 205.972g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number