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2-Mercaptoethanesulfonic acid

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Name

2-Mercaptoethanesulfonic acid

EINECS 222-167-0
CAS No. 3375-50-6 Density 1.25
PSA 101.55000 LogP 0.88480
Solubility N/A Melting Point N/A
Formula C2H6 O3 S2 Boiling Point °Cat760mmHg
Molecular Weight 142.2 Flash Point °C
Transport Information UN 3265 Appearance N/A
Safety S26;S27;S36/37/39;S45 Risk Codes R34   
Molecular Structure Molecular Structure of 3375-50-6 (2-Mercaptoethanesulfonic acid) Hazard Symbols
Synonyms

2-Mercaptoethanesulfonicacid; 2-Mercaptoethylsulfonic acid; Mercaptoethanesulfonic acid; Reducedcoenzyme M; b-Mercaptoethanesulfonicacid

 

2-Mercaptoethanesulfonic acid Synthetic route

420-12-2

thirane

sodium hydrogensulfite

3375-50-6

2-Mercaptoethanesulfonic acid

157-20-0

ethylene sulphide

sodium hydrogensulfite

3375-50-6

2-Mercaptoethanesulfonic acid

Conditions
ConditionsYield
In not given
3375-50-6

2-Mercaptoethanesulfonic acid

646071-98-9

2-acetylamino-N-[2-(4-hydroxyphenyl)ethyl]acrylamide

2-{2-acetylamino-2-[2-(4-hydroxyphenyl)ethylcarbamoyl]ethylsulfanyl}ethanesulfonic acid

Conditions
ConditionsYield
With triethylamine In water at 20℃; for 1h; Michael addition;85%
3375-50-6

2-Mercaptoethanesulfonic acid

1422728-56-0

C38H34F4N2O5

121-44-8

triethylamine

C40H38F3N2O8S2(1-)*C6H15N

Conditions
ConditionsYield
Stage #1: 2-Mercaptoethanesulfonic acid; C38H34F4N2O5; triethylamine In water; N,N-dimethyl-formamide at 20℃; Schlenk technique; Inert atmosphere;
Stage #2: With acetic acid In water; N,N-dimethyl-formamide Inert atmosphere; Schlenk technique;
76%
3375-50-6

2-Mercaptoethanesulfonic acid

nocathiacin I

C63H66N14O21S7

Conditions
ConditionsYield
With triethylamine In water at -20℃; for 5.5h; Michael addition;70%
3375-50-6

2-Mercaptoethanesulfonic acid

C32H26F4N2O3

121-44-8

triethylamine

C34H31F3N2O6S2*2C6H15N

Conditions
ConditionsYield
In water; N,N-dimethyl-formamide at 0 - 20℃; regioselective reaction;70%
3375-50-6

2-Mercaptoethanesulfonic acid

C43H43F3N2O6S2

121-44-8

triethylamine

C45H48F2N2O9S4*C6H15N

Conditions
ConditionsYield
In water; N,N-dimethyl-formamide at 20℃;65%
3375-50-6

2-Mercaptoethanesulfonic acid

C41H39F4N2O3(1+)

C43H43F3N2O6S2

Conditions
ConditionsYield
With triethylamine regioselective reaction;60%
3375-50-6

2-Mercaptoethanesulfonic acid

75-36-5

acetyl chloride

69536-71-6

2-(acetylthio)ethane-1-sulfonic acid

Conditions
ConditionsYield
With trifluoroacetic acid at 0 - 25℃; for 4h;59%
3375-50-6

2-Mercaptoethanesulfonic acid

C34H31F3N2O6S2

C36H35F2N2O9S4(1-)

Conditions
ConditionsYield
With triethylamine In water; N,N-dimethyl-formamide at 40℃;53%

2-Mercaptoethanesulfonic acid Chemical Properties

Molecule structure of 2-Mercaptoethanesulfonic acid (CAS NO.3375-50-6):

IUPAC Name: 2-Sulfanylethanesulfonic acid 
Molecular Weight: 142.19724 [g/mol]
Molecular Formula: C2H6O3S2 
Index of Refraction: 1.539
Molar Refractivity: 29.5 cm3
Molar Volume: 94.1 cm3
Surface Tension: 61.3 dyne/cm
Density: 1.51 g/cm3
XLogP3-AA: -0.6
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 141.975835
MonoIsotopic Mass: 141.975835
Topological Polar Surface Area: 63.8
Heavy Atom Count: 7
Canonical SMILES: C(CS(=O)(=O)O)S
InChI: InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)
InChIKey: ZNEWHQLOPFWXOF-UHFFFAOYSA-N
EINECS: 222-167-0
Product Categories of 2-Mercaptoethanesulfonic acid (CAS NO.3375-50-6): Reagents for Protein SequencingAmino Acid Analysis; Protein Sequencing; Protein Structural Analysis; Reagents for amino acid derivatisation&detection; Regents for amino acid analysis

2-Mercaptoethanesulfonic acid Safety Profile

Hazard Codes: CorrosiveC
Risk Statements: 34 
R34:Causes burns.
Safety Statements: 26-27-36/37/39-45 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S27:Take off immediately all contaminated clothing. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3265 8/PG 3
WGK Germany: 2
F: 10-23

2-Mercaptoethanesulfonic acid Specification

 2-Mercaptoethanesulfonic acid (CAS NO.3375-50-6) is also named as Mercaptoethanesulfonic acid ; beta-Mercaptoethanesulfonic acid ; 2-Sulfanylethanesulfonic acid ; Ethanesulfonic acid, 2-mercapto- ; 2-Mercaptoethanesulfonate .

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