Basic information
- CAS
5633-61-4- Standard SMILES
COc1ccc(SC)c(OC)c1- InChIKey
PYVGVVWIPCWPEB-UHFFFAOYSA-N- Molecular formula
- C9H12O2S
- Average molar mass
- 184.26 g/mol
- Monoisotopic mass
- 184.05580079
Names & identifiers
- Preferred name
- 2,4-Dimethoxyphenyl methyl sulfide
- IUPAC
- 2,4-dimethoxy-1-methylsulfanylbenzene
Names & synonyms
5633-61-42,4-DIMETHOXYPHENYL METHYL SULFIDE(2,4-Dimethoxyphenyl)(methyl)sulfaneMFCD116177992,4-dimethoxy-1-methylsulfanyl-benzene2,4-dimethoxy-1-methylsulfanylbenzeneSCHEMBL3511274SCHEMBL3511278SCHEMBL9879334DTXSID20494982AKOS0063169302,4-Dimethoxy-1-(methylsulfanyl)benzene
Show more names
H80912F394789
Database identifiers
- CAS
5633-61-4- PubChem CID
- 12374068
- DTXSID
DTXSID20494982
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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