| CAS Number | 1368614-29-2 |
| Catalog Number | AG01A5VN |
| Chemical Name | 1-(chloromethyl)-4-(propan-2-ylsulfanyl)benzene |
| IUPAC Name | 1-(chloromethyl)-4-propan-2-ylsulfanylbenzene |
| InChI | InChI=1S/C10H13ClS/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8H,7H2,1-2H3 |
| InChI Key | RVZMKOWZVXAGLT-UHFFFAOYSA-N |
| MDL Number | MFCD21911666 |
| Molecular Formula | C10H13ClS |
| Molecular Weight | 200.7282 |
| SMILES | CC(SC1=CC=C(CCl)C=C1)C |
| Synonyms | 1-(chloromethyl)-4-(propan-2-ylsulfanyl)benzene,
1368614-29-2,
SCHEMBL20300154,
ZINC82531404,
AKOS022771334,
NE47992,
|
| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.724g/mol |
| Monoisotopic Mass | 200.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number