| CAS Number | 7205-61-0 |
| Catalog Number | AG005NMU(AGN-PC-0NIJHQ) |
| Chemical Name | 4-Methoxyphenyl 2-propyl sulfide |
| IUPAC Name | 1-methoxy-4-propan-2-ylsulfanylbenzene |
| InChI | InChI=1S/C10H14OS/c1-8(2)12-10-6-4-9(11-3)5-7-10/h4-8H,1-3H3 |
| InChI Key | MJVQNQFTOQCSFX-UHFFFAOYSA-N |
| MDL Number | MFCD22056033 |
| Molecular Formula | C10H14OS |
| Molecular Weight | 182.2826 |
| SMILES | S(C1C=CC(OC)=CC=1)C(C)C |
| Synonyms | 7205-61-0,
4-(Isopropylthio)-1-methoxybenzene,
Benzene, 1-methoxy-4-[(1-methylethyl)thio]-,
4-Methoxyphenyl 2-propyl sulfide,
SCHEMBL4192430,
CTK2H2993,
DTXSID70488614,
Isopropyl 4-methoxyphenyl sulfide,
ZINC39207067,
1-methoxy-4-(propan-2-ylsulfanyl)benzene,
1-Methoxy-4-[(1-methylethyl)thio]benzene,
1-Methoxy-4-[(propan-2-yl)sulfanyl]benzene,
1-(ISOPROPYLSULFANYL)-4-METHOXYBENZENE,
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| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.281g/mol |
| Monoisotopic Mass | 182.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number