| CAS Number | 26190-68-1 |
| Catalog Number | AG01A5TD(AGN-PC-0O8DTP) |
| Chemical Name | 1-(chloromethyl)-2-(methylsulfanyl)benzene |
| IUPAC Name | 1-(chloromethyl)-2-methylsulfanylbenzene |
| InChI | InChI=1S/C8H9ClS/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6H2,1H3 |
| InChI Key | JAKXLOFPUFLDDK-UHFFFAOYSA-N |
| MDL Number | MFCD09057755 |
| Molecular Formula | C8H9ClS |
| Molecular Weight | 172.6751 |
| SMILES | ClCC1=C(C=CC=C1)SC |
| Synonyms | 1-(chloromethyl)-2-(methylsulfanyl)benzene,
26190-68-1,
(2-(Chloromethyl)phenyl)(methyl)sulfane,
2-methylthiobenzyl chloride,
2-(chloromethyl)thioanisole,
2-(methylthio)benzyl chloride,
SCHEMBL1146257,
JAKXLOFPUFLDDK-UHFFFAOYSA-N,
2-chloromethyl-1-methylthiobenzene,
ZINC11848540,
AKOS002367290,
MCULE-4819919529,
NE41514,
1-methylsulfanyl-2-chloromethyl-benzene,
NS-01417,
1-(chloromethyl)-2-(methylthio)benzene,
|
| Complexity | 95.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.67g/mol |
| Monoisotopic Mass | 172.011g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number