| CAS Number | 4210-03-1 |
| Catalog Number | AG01EVWK(AGN-PC-3H4823) |
| Chemical Name | (2,6-dichlorophenyl)(methyl)sulfane |
| IUPAC Name | 1,3-dichloro-2-methylsulfanylbenzene |
| InChI | InChI=1S/C7H6Cl2S/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3 |
| InChI Key | RRXLOEAZYVLTJP-UHFFFAOYSA-N |
| MDL Number | MFCD03789170 |
| Molecular Formula | C7H6Cl2S |
| Molecular Weight | 193.0935 |
| SMILES | ClC1=C(C(=CC=C1)Cl)SC |
| Synonyms | 2,6-Dichlorothioanisole,
4210-03-1,
(2,6-Dichlorophenyl)(methyl)sulfane,
AC1MBXOI,
SCHEMBL5594805,
CTK7B4820,
1,3-dichloro-2-methylthiobenzene,
ZINC2511088,
MFCD03789170,
1,3-dichloro-2-methylsulfanylbenzene,
AKOS006241107,
MCULE-5048637335,
ST51041994,
1,3-DICHLORO-2-(METHYLSULFANYL)BENZENE,
ZINC02511088,
CID2758226,
|
| Complexity | 97.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.085g/mol |
| Monoisotopic Mass | 191.957g/mol |
| Rotatable Bond Count | 1 |
| 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