1-[(Ethylthio)methyl]-2-methoxybenzene - CAS 1443340-32-6
Catalog: |
BB056012 |
Product Name: |
1-[(Ethylthio)methyl]-2-methoxybenzene |
CAS: |
1443340-32-6 |
Synonyms: |
Ethyl 2-methoxybenzyl sulfide; 1-(ethylsulfanylmethyl)-2-methoxybenzene; Ethyl(2-methoxybenzyl)sulfane; 1-[(Ethylthio)methyl]-2-methoxybenzene |
IUPAC Name: | 1-(ethylsulfanylmethyl)-2-methoxybenzene |
Molecular Weight: | 182.28 |
Molecular Formula: | C10H14OS |
Canonical SMILES: | CCSCC1=CC=CC=C1OC |
InChI: | InChI=1S/C10H14OS/c1-3-12-8-9-6-4-5-7-10(9)11-2/h4-7H,3,8H2,1-2H3 |
InChI Key: | XBQLXTJJSPIMOD-UHFFFAOYSA-N |
References: | Aharonson, N., et. al. J. Agr. Food Chem., 27, 265 (1979); Cabras, P., et. al. J. Agr. Food Chem., 37, 1405 (1989). |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.07653624 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.07653624 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 34.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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