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811-51-8 molecular structure
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(ethylsulfanyl)sodium

ChemBase ID: 150305
Molecular Formular: C2H5NaS
Molecular Mass: 84.11587
Monoisotopic Mass: 84.00096544
SMILES and InChIs

SMILES:
CCS[Na]
Canonical SMILES:
CCS[Na]
InChI:
InChI=1S/C2H6S.Na/c1-2-3;/h3H,2H2,1H3;/q;+1/p-1
InChIKey:
QJDUDPQVDAASMV-UHFFFAOYSA-M

Cite this record

CBID:150305 http://www.chembase.cn/molecule-150305.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(ethylsulfanyl)sodium
IUPAC Traditional name
(ethylsulfanyl)sodium
Synonyms
Ethanethiol sodium salt
Ethyl mercaptan sodium salt
Sodium ethanethiolate
乙基硫醇 钠盐
乙硫醇 钠盐
乙硫醇钠
CAS Number
811-51-8
MDL Number
MFCD00066318
Beilstein Number
3593647
PubChem SID
162244466
24862065
24886020
PubChem CID
4459711

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4459711 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.5521  LogD (pH = 7.4) -0.5521 
Log P -0.5521  Molar Refractivity 18.2944 cm3
Polarizability 9.1074915 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3263 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
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
29-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3263 8/PG 2 expand Show data source
Supplemental Hazard Statements
Contact with water liberates toxic gas. expand Show data source
Purity
~90% (RT) expand Show data source
80% expand Show data source
Grade
technical expand Show data source
technical grade expand Show data source
Linear Formula
CH3CH2SNa expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 359297 external link
Packaging
10 g in glass bottle
Sigma Aldrich - 71208 external link
Other Notes
Alkanethiolates are efficient reagents for SN2 dealkylation of esters and aryl ethers1,2,3,4,5
Packaging
10, 50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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