Phenyl Vinyl Sulfide
Basic information
- CAS
1822-73-7- Standard SMILES
C=CSc1ccccc1- InChIKey
GMPDOIGGGXSAPL-UHFFFAOYSA-N- Molecular formula
- C8H8S
- Average molar mass
- 136.22 g/mol
- Monoisotopic mass
- 136.03467143
Overview
Phenyl vinyl sulfide is an aryl sulfide.
Names & identifiers
- Preferred name
- Phenyl Vinyl Sulfide
- IUPAC
- ethenylsulfanylbenzene
- English name
- Phenyl vinyl sulfide
- Molecular formula
- C8H8S
- Molecular weight
- 136.21
Names & synonyms
Phenyl vinyl sulfide1822-73-7PhenylthioetheneBenzene, (ethenylthio)-Phenyl vinyl sulphideVinylthiobenzeneVinyl phenyl sulfide(Ethenylthio)benzenePhenyl vinyl thioetherSulfide, phenyl vinylPhenylthioethylene(ethenylsulfanyl)benzene
Show more names
phenyl(vinyl)sulfane(PHENYLTHIO)ETHYLENEPhenyletherylsulfidePHENYLETHENYL SULFIDE
(vinylthio)benzene(Vinylsulfanyl)benzeneUNII-253GML9Q62253GML9Q62EINECS 217-351-2NSC-39625DTXSID60171265NSC 39625
Database identifiers
- CAS
1822-73-7- PubChem CID
- 74572
- DTXSID
DTXSID60171265- ChEMBL
CHEMBL2323850- ChEBI
CHEBI:173571- UNII
- 253GML9Q62
- EC Number
- 217-351-2
- Nikkaji
- J199.640A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 82.6
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Boiling point
- 94 · 94-95 °C/25 mmHg (lit.)
- Density
- 1.042 g/mL · 1.042 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.599(lit.)
- Flash point
- 114 °F · 114 °F
- storage temp.
- 2 · 2-8°C
- form
- liquid
- Specific Gravity
- 1.042 · 1.042
- Appearance
- Colorless to light yellow Liquid
- BRN
- 969970 · 969970
- InChI
- 1S/C8H8S/c1-2-9-8-6-4-3-5-7-8/h2-7H,1H2
- InChIKey
- GMPDOIGGGXSAPL-UHFFFAOYSA-N
- SMILES
- C=CSc1ccccc1
- CAS DataBase Reference
- 1822 · 1822-73-7(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationBenzene, (ethenylthio)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- F
- 13
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29309090
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesPhenyl vinyl sulfide was used in the synthesis of 2-fluoropyridinyl-6-oxy- precursors.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Phenyl vinyl sulfide is an aryl sulfide.
Related reactions
11 records
Compound notes
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