Home > Compound List > Compound details
1822-73-7 molecular structure
click picture or here to close

(ethenylsulfanyl)benzene

ChemBase ID: 150356
Molecular Formular: C8H8S
Molecular Mass: 136.21412
Monoisotopic Mass: 136.03467126
SMILES and InChIs

SMILES:
C=CSc1ccccc1
Canonical SMILES:
C=CSc1ccccc1
InChI:
InChI=1S/C8H8S/c1-2-9-8-6-4-3-5-7-8/h2-7H,1H2
InChIKey:
GMPDOIGGGXSAPL-UHFFFAOYSA-N

Cite this record

CBID:150356 http://www.chembase.cn/molecule-150356.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(ethenylsulfanyl)benzene
IUPAC Traditional name
(ethenylsulfanyl)benzene
Synonyms
(Phenylthio)ethylene
Phenyl vinyl sulfide
硫化苯乙烯
苯基乙烯基硫醚
CAS Number
1822-73-7
EC Number
217-351-2
MDL Number
MFCD00009646
Beilstein Number
969970
PubChem SID
24853571
162244517
24887438
PubChem CID
74572

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 74572 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 2.7180984 
LogD (pH = 7.4) 2.7180984  Log P 2.7180984 
Molar Refractivity 42.7501 cm3 Polarizability 16.8726 Å3

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
94-95 °C/25 mmHg(lit.) expand Show data source
Flash Point
114.8 °F expand Show data source
46 °C expand Show data source
Density
1.042 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.599(lit.) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
10 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥95.0% (GC) expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Linear Formula
C6H5SCH=CH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 226475 external link
Packaging
1, 5 g in glass bottle
Sigma Aldrich - 79290 external link
Other Notes
Reagent for the preparation of 1,4-diketone and α,β-unsaturated ketones from aldehydes1,2; Starting material for the synthesis of various thio-ketene acetals3

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle