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352-93-2 molecular structure
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(ethylsulfanyl)ethane

ChemBase ID: 127006
Molecular Formular: C4H10S
Molecular Mass: 90.1872
Monoisotopic Mass: 90.05032132
SMILES and InChIs

SMILES:
S(CC)CC
Canonical SMILES:
CCSCC
InChI:
InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3
InChIKey:
LJSQFQKUNVCTIA-UHFFFAOYSA-N

Cite this record

CBID:127006 http://www.chembase.cn/molecule-127006.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(ethylsulfanyl)ethane
IUPAC Traditional name
ethyl sulfide
Synonyms
Ethyl sulfide
Diethyl sulfide
diethyl thioether
ethyl sulfidr
thioethyl ether
Diethyl sulfide
乙硫醚
二乙基硫醚
CAS Number
352-93-2
EC Number
206-526-9
MDL Number
MFCD00009270
Beilstein Number
1696909
Merck Index
143854
PubChem SID
24901897
24859500
24846758
162221329
PubChem CID
9609
6163
CHEBI ID
27710
CHEMBL
117181
Chemspider ID
9233
FEMA ID
3869
KEGG ID
C14706
Wikipedia Title
Diethyl_sulfide
Flavis Number
12.113

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7296395  LogD (pH = 7.4) 1.7296395 
Log P 1.7296395  Molar Refractivity 28.4873 cm3
Polarizability 11.173222 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
fully miscible in diethyl ether expand Show data source
fully miscible in ethanol expand Show data source
insoluble in water expand Show data source
Apperance
Clear liquid expand Show data source
Melting Point
-100 °C(lit.) expand Show data source
-103.8°C expand Show data source
-104°C expand Show data source
Boiling Point
90-92 °C(lit.) expand Show data source
90-92°C expand Show data source
92°C expand Show data source
Flash Point
-10 °C expand Show data source
-10°C(14°F) expand Show data source
14 °F expand Show data source
Density
0.835 expand Show data source
0.837 g/cm3 expand Show data source
0.837 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4420 expand Show data source
1.44233 expand Show data source
n20/D 1.442 expand Show data source
n20/D 1.442(lit.) expand Show data source
Vapor Pressure
105 mmHg ( 37.7 °C) expand Show data source
RTECS
LC7200000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
2375 expand Show data source
UN2375 expand Show data source
MSDS Link
Download expand Show data source
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
2 expand Show data source
II expand Show data source
Risk Statements
11-36/37/38 expand Show data source
11-36/38 expand Show data source
R11 R65 expand Show data source
Safety Statements
9-16-23-26-33-37 expand Show data source
9-16-26-33-36 expand Show data source
S2 S9 S16 S51 S62 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
Main Hazard
Skin and eye irritant. Highly flammable liquid and vapor expand Show data source
NFPA704
NFPA 704 diagram
3
2
1
expand Show data source
GHS Hazard statements
H225-H315-H319 expand Show data source
H225-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P210-P305 + P351 + P338 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 2375 3/PG 2 expand Show data source
Purity
≥99.0% (GC) expand Show data source
96% expand Show data source
98% expand Show data source
Grade
puriss. expand Show data source
Linear Formula
(C2H5)2S expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 107247 external link
Packaging
5, 100 mL in glass bottle
Sigma Aldrich - W382501 external link
Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
4 kg in steel drum

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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