| CAS Number | 34786-24-8 |
| Catalog Number | AG00CUAY(AGN-PC-0JMSB0) |
| Chemical Name | 1-(Ethylthio)-3-methylbenzene |
| IUPAC Name | 1-ethylsulfanyl-3-methylbenzene |
| InChI | InChI=1S/C9H12S/c1-3-10-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3 |
| InChI Key | HYWRFKLTGRADFO-UHFFFAOYSA-N |
| MDL Number | MFCD11617742 |
| Molecular Formula | C9H12S |
| Molecular Weight | 152.2566 |
| SMILES | S(CC)C1=CC=CC(C)=C1 |
| Synonyms | Benzene, 1-(ethylthio)-3-methyl-,
Ethyl m-tolyl sulfide,
1-(Ethylthio)-3-Methylbenzene,
34786-24-8,
HYWRFKLTGRADFO-UHFFFAOYSA-N,
ETHYL 3-METHYLPHENYL SULFIDE,
Ethyl m-tolylsulfide,
AC1L3K2T,
1-Ethylthio-3-methylbenzene,
SCHEMBL709584,
1-ethylsulfanyl-3-methylbenzene,
CTK1C5779,
DTXSID10188328,
ZINC5921889,
AKOS006239535,
CID141922,
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| Complexity | 90.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.255g/mol |
| Monoisotopic Mass | 152.066g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number