{3-Methoxy-2-[(prop-2-en-1-yl)sulfanyl]propoxy}benzene
Basic information
- CAS
94953-11-4- Standard SMILES
C=CCSC(COC)COc1ccccc1- InChIKey
WYMWRZRLJHHIGA-UHFFFAOYSA-N- Molecular formula
- C13H18O2S
- Average molar mass
- 238.35 g/mol
- Monoisotopic mass
- 238.10275099
Names & identifiers
- Preferred name
- {3-Methoxy-2-[(prop-2-en-1-yl)sulfanyl]propoxy}benzene
- IUPAC
- (3-methoxy-2-prop-2-enylsulfanylpropoxy)benzene
Names & synonyms
94953-11-4{3-Methoxy-2-[(prop-2-en-1-yl)sulfanyl]propoxy}benzeneDTXSID30536963
Database identifiers
- CAS
94953-11-4- PubChem CID
- 13328366
- DTXSID
DTXSID30536963
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 179
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Compound notes
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