1,3-Bis(methylthio)-2-methoxypropane
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Basic information
- CAS
31805-84-2- Standard SMILES
COC(CSC)CSC- InChIKey
MOISORXUYSHXRU-UHFFFAOYSA-N- Molecular formula
- C6H14OS2
- Average molar mass
- 166.3 g/mol
- Monoisotopic mass
- 166.04860741
Names & identifiers
- Preferred name
- 1,3-Bis(methylthio)-2-methoxypropane
- IUPAC
- 2-methoxy-1,3-bis(methylsulfanyl)propane
- English name
- 1,3-BIS(METHYLTHIO)-2-METHOXYPROPANE
- Molecular formula
- C6H14OS2
- Molecular weight
- 166.3
Names & synonyms
31805-84-21,3-Bis(methylthio)-2-methoxypropane2-Methoxy-1,3-bis(methylsulfanyl)propane2-Methoxy-1,3-bis(methylthio)propane1,3-Bis-(methylthio)-2-methoxypropane13-Bis(methylthio)-2-methoxypropanePropane, 2-methoxy-1,3-bis(methylthio)-EINECS 250-815-2SCHEMBL8674550Bismethylthiomethoxypropane; 97%MOISORXUYSHXRU-UHFFFAOYSA-DTXSID60185685
Show more names
Bismethylthiomethoxypropane1,3-Bis(methylthio)-2-methoxypropane >(2-Methoxypropane-1,3-diyl)bis(methylsulfane)
AKOS0158524992-methoxy-1,3-bis(methylsulfanyl)-propaneDB-0481112-Methoxy-1,3-bis(methylsulfanyl)propane #B1709NS00029176(2-methoxypropane-1,3-diyl)bis(methylsulfane)InChI=1/C6H14OS2/c1-7-6(4-8-2)5-9-3/h6H,4-5H2,1-3H3
Database identifiers
- CAS
31805-84-2- PubChem CID
- 520544
- DTXSID
DTXSID60185685- EC Number
- 250-815-2
- Nikkaji
- J278.192A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 53
Physicochemical properties
- Boiling point
- 97 · 97-98°C 9mm
- Density
- 1 · 1,08 g/cm3
- refractive index
- 1.508 · 1.5080-1.5100
- Flash point
- 97 · 97-98°C/9mm
- form
- clear liquid
- color
- Light yellow to Yellow to Orange
- CAS DataBase Reference
- 31805 · 31805-84-2
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 22 · 22-36/37
- HS Code
- 2912.49 · 2912.49.2600
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
- hs_code
- 2912.49.2600
- risk_code
- 20/21/22
- safety_code
- 22-36/37
Chemistry & industry
Applications
Uses1,3-bis(Methylthio)-2-methoxypropane is a useful chemical in organic synthesis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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