| CAS Number | 38474-02-1 |
| Catalog Number | AG00K3F3(AGN-PC-0CFKEO) |
| Chemical Name | 1-(Ethylthio)-3-methoxybenzene |
| IUPAC Name | 1-ethylsulfanyl-3-methoxybenzene |
| InChI | InChI=1S/C9H12OS/c1-3-11-9-6-4-5-8(7-9)10-2/h4-7H,3H2,1-2H3 |
| InChI Key | BEPBPCRLISEYKM-UHFFFAOYSA-N |
| MDL Number | MFCD11617684 |
| Molecular Formula | C9H12OS |
| Molecular Weight | 168.2560 |
| SMILES | C(C)SC1=CC(=CC=C1)OC |
| Synonyms | 1-(ethylthio)-3-methoxybenzene,
1-(Ethylsulfanyl)-3-methoxybenzene,
38474-02-1,
benzene, 1-(ethylthio)-3-methoxy-,
AC1LD2V1,
SCHEMBL5750902,
1-ethylsulfanyl-3-methoxybenzene,
DTXSID60348899,
BEPBPCRLISEYKM-UHFFFAOYSA-N,
ETHYL 3-METHOXYPHENYL SULFIDE,
ZINC32302074,
AKOS006230654,
InChI=1/C9H12OS/c1-3-11-9-6-4-5-8(7-9)10-2/h4-7H,3H2,1-2H,
CID641439,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.254g/mol |
| Monoisotopic Mass | 168.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number