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75-08-1 molecular structure
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ethanethiol

ChemBase ID: 88594
Molecular Formular: C2H6S
Molecular Mass: 62.13404
Monoisotopic Mass: 62.01902119
SMILES and InChIs

SMILES:
SCC
Canonical SMILES:
CCS
InChI:
InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3
InChIKey:
DNJIEGIFACGWOD-UHFFFAOYSA-N

Cite this record

CBID:88594 http://www.chembase.cn/molecule-88594.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethanethiol
IUPAC Traditional name
ethanethiol
Synonyms
Mercaptoethane
Ethyl mercaptan
Ethanethiol
Ethanethiol solution
Ethanethiol
Ethanethiol (ethyl mercaptan)
EM RT
Mercaptan C2
Ethanethiol
乙硫醇 溶液
乙硫醇
乙硫醇(硫代乙醇)
C2 硫醇
硫代乙醇
乙硫醇
CAS Number
75-08-1
EC Number
200-837-3
MDL Number
MFCD00004887
Beilstein Number
773638
Merck Index
143726
PubChem SID
162075517
24894342
24902115
24873392
PubChem CID
6343
Chemspider ID
6103
FEMA ID
4258
Unique Ingredient Identifier
M439R54A1D
Wikipedia Title
Ethanethiol
Flavis Number
12.017

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.2290325  H Acceptors
H Donor LogD (pH = 5.5) 1.0895928 
LogD (pH = 7.4) 1.0890033  Log P 1.0896003 
Molar Refractivity 19.0385 cm3 Polarizability 7.4749584 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
Soluble in alcohol, ether, water expand Show data source
Apperance
Liquid expand Show data source
Melting Point
-148°C expand Show data source
-148°C expand Show data source
Boiling Point
187.7 °C expand Show data source
35 °C(lit.) expand Show data source
35°C expand Show data source
35°C expand Show data source
Flash Point
<-20 °C expand Show data source
<-4 °F expand Show data source
-45 °C expand Show data source
-45°C expand Show data source
-48°C(-55°F) expand Show data source
-49 °F expand Show data source
Auto Ignition Point
570 °F expand Show data source
Density
0.839 expand Show data source
0.839 g/mL at 25 °C(lit.) expand Show data source
0.84 expand Show data source
0.8617 g·cm−3 expand Show data source
Refractive Index
1.4310 expand Show data source
n20/D 1.43 expand Show data source
n20/D 1.4306(lit.) expand Show data source
n20/D 1.434 expand Show data source
Vapor Pressure
8.51 psi ( 20 °C) expand Show data source
Vapor Density
2.1 (vs air) expand Show data source
pKa
10.6 expand Show data source
Storage Warning
Extremely Flammable/Harmful/Stench expand Show data source
RTECS
KI9625000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1993 expand Show data source
2363 expand Show data source
UN2363 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
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
1 expand Show data source
2 expand Show data source
I expand Show data source
Risk Statements
11-20-50/53 expand Show data source
11-50/53 expand Show data source
Safety Statements
16-25-60-61 expand Show data source
16-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
Main Hazard
Nauseating expand Show data source
Explode Limits
18.2 % expand Show data source
GHS Hazard statements
H225-H332-H410 expand Show data source
H225-H400-H410-H332 expand Show data source
H225-H410 expand Show data source
GHS Precautionary statements
P210-P241-P261-P303+P361+P353-P403+P235-P501A expand Show data source
P210-P273-P501 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
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 2 expand Show data source
UN 2363 3/PG 1 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥97% expand Show data source
≥97.0% (GC) expand Show data source
97% expand Show data source
Concentration
10 wt. % in propylene glycol expand Show data source
Grade
analytical standard expand Show data source
purum expand Show data source
Packaging
ampule of 1000 mg expand Show data source
Linear Formula
C2H5SH expand Show data source
Empirical Formula (Hill Notation)
C2H6S expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 525804 external link
Legal Information
Product of Arkema
Sigma Aldrich - W425800 external link
Packaging
1 kg in glass bottle
1 sample in glass bottle
9 kg in steel drum
Sigma Aldrich - E3708 external link
Packaging
100, 500 mL in glass bottle
Sigma Aldrich - W527505 external link
Packaging
10 kg in steel drum
25 kg in comp drum

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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