1,3-Benzodioxole, 5-(2-(octylthio)propyl)-
Basic information
- CAS
5382-10-5- Standard SMILES
CCCCCCCCSC(C)Cc1ccc2c(c1)OCO2- InChIKey
HEPOTAGQICHPBU-UHFFFAOYSA-N- Molecular formula
- C18H28O2S
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.18100131
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 5-(2-(octylthio)propyl)-
- IUPAC
- 5-(2-octylsulfanylpropyl)-1,3-benzodioxole
- English name
- 1,2-(Methylenedioxy)-4-[2-(octylthio)propyl]benzene
- Molecular formula
- C18H28O2S
- Molecular weight
- 308.49
Names & synonyms
5-(2-(Octylthio)propyl)-1,3-benzodioxole5382-10-51,3-Benzodioxole, 5-[2-(octylthio)propyl]-DTXSID708841521,3-Benzodioxole, 5-(2-(octylthio)propyl)-RefChem:217876DTXCID401023617SCHEMBL313367625-[2-(OCTYLSULFANYL)PROPYL]-2H-1,3-BENZODIOXOLEHEPOTAGQICHPBU-UHFFFAOYSA-N1,2-(Methylenedioxy)-4-[2-(octylthio)propyl]benzene
Database identifiers
- CAS
5382-10-5- PubChem CID
- 110649
- DTXSID
DTXSID70884152- Nikkaji
- J421.762D
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Benzodioxole, 5-[2-(octylthio)propyl]- (5382-10-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzodioxole, 5-[2-(octylthio)propyl]-: INACTIVE
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Related reactions
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Compound notes
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