Basic information
- CAS
203303-04-2- Standard SMILES
OCCSCc1ccc(F)cc1- InChIKey
ZPOGPEPCFFSJEK-UHFFFAOYSA-N- Molecular formula
- C9H11FOS
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.05146431
Names & identifiers
- Preferred name
- 2-[(4-Fluorobenzyl)thio]ethanol
- IUPAC
- 2-[(4-fluorophenyl)methylsulfanyl]ethanol
- English name
- 2-[(4-Fluorobenzyl)thio]ethanol
- Molecular formula
- C9H11FOS
- Molecular weight
- 186.25
Names & synonyms
203303-04-22-[(4-FLUOROBENZYL)THIO]ETHANOL2-((4-Fluorobenzyl)thio)ethanol2-[(4-fluorophenyl)methylsulfanyl]ethanolMFCD000409132-{[(4-Fluorophenyl)methyl]sulfanyl}ethan-1-ol2-((4-Fluorobenzyl)thio)ethan-1-olNSC345673SCHEMBL5394344DTXSID303194552-[(4-fluorobenzyl)sulfanyl]ethanolSTL508931
Show more names
Ethanol, 2-[[(4-fluorophenyl)methyl]thio]-2-[(4-fluorobenzyl)thio]ethanol(SALTDATA: FREE)
AKOS005138051NSC-345673SB85118BS-35808DB-181737CS-0336536F315982
Database identifiers
- CAS
203303-04-2- PubChem CID
- 335545
- DTXSID
DTXSID30319455- Nikkaji
- J1.237.311B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Boiling point
- 301.8 · 301.8±22.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- pka
- 14.46 · 14.46±0.10(Predicted)
- 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
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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