{[(2,2-Dimethoxyethyl)sulfanyl]methyl}benzene
Basic information
- CAS
6304-94-5- Standard SMILES
COC(CSCc1ccccc1)OC- InChIKey
UIOLSVUCZJRSOQ-UHFFFAOYSA-N- Molecular formula
- C11H16O2S
- Average molar mass
- 212.31 g/mol
- Monoisotopic mass
- 212.08710092
Names & identifiers
- Preferred name
- {[(2,2-Dimethoxyethyl)sulfanyl]methyl}benzene
- IUPAC
- 2,2-dimethoxyethylsulfanylmethylbenzene
- English name
- 2,2-dimethoxyethylsulfanylmethylbenzene
- Molecular formula
- C11H16O2S
- Molecular weight
- 212.31
Names & synonyms
{[(2,2-dimethoxyethyl)sulfanyl]methyl}benzene6304-94-52,2-dimethoxyethylsulfanylmethylbenzene([(2,2-Dimethoxyethyl)sulfanyl]methyl)benzeneNSC43153SCHEMBL10916656DTXSID60978958GAA30494NSC-43153AKOS015566357CS-0234392EN300-141416
Show more names
Benzene, [[(2,2-dimethoxyethyl)thio]methyl]-
G53605
Database identifiers
- CAS
6304-94-5- PubChem CID
- 238673
- DTXSID
DTXSID60978958
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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