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CAS No.: | 3375-50-6 |
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Name: | 2-Mercaptoethanesulfonic acid |
Molecular Structure: | |
Formula: | C2H6 O3 S2 |
Molecular Weight: | 142.2 |
Synonyms: | 2-Mercaptoethanesulfonicacid; 2-Mercaptoethylsulfonic acid; Mercaptoethanesulfonic acid; Reducedcoenzyme M; b-Mercaptoethanesulfonicacid |
EINECS: | 222-167-0 |
Density: | 1.25 |
Boiling Point: | °Cat760mmHg |
Flash Point: | °C |
Hazard Symbols: | |
Risk Codes: | R34 |
Safety: | S26;S27;S36/37/39;S45 |
Transport Information: | UN 3265 |
PSA: | 101.55000 |
LogP: | 0.88480 |
Conditions | Yield |
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In not given |
2-Mercaptoethanesulfonic acid
2-acetylamino-N-[2-(4-hydroxyphenyl)ethyl]acrylamide
Conditions | Yield |
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With triethylamine In water at 20℃; for 1h; Michael addition; | 85% |
Conditions | Yield |
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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% |
Conditions | Yield |
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With triethylamine In water at -20℃; for 5.5h; Michael addition; | 70% |
Conditions | Yield |
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In water; N,N-dimethyl-formamide at 0 - 20℃; regioselective reaction; | 70% |
Conditions | Yield |
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In water; N,N-dimethyl-formamide at 20℃; | 65% |
Conditions | Yield |
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With triethylamine regioselective reaction; | 60% |
2-Mercaptoethanesulfonic acid
acetyl chloride
2-(acetylthio)ethane-1-sulfonic acid
Conditions | Yield |
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With trifluoroacetic acid at 0 - 25℃; for 4h; | 59% |
Conditions | Yield |
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With triethylamine In water; N,N-dimethyl-formamide at 40℃; | 53% |
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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
Hazard Codes: C
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 (CAS NO.3375-50-6) is also named as Mercaptoethanesulfonic acid ; beta-Mercaptoethanesulfonic acid ; 2-Sulfanylethanesulfonic acid ; Ethanesulfonic acid, 2-mercapto- ; 2-Mercaptoethanesulfonate .