3-sulfanylpropane-1,2-diol

• ChemBase ID: 104375
• Molecular Formular: C3H8O2S
• Molecular Mass: 108.15942
• Monoisotopic Mass: 108.0245005
• SMILES: OCC(O)CS
• Canonical SMILES: OCC(CS)O
• InChI: InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2
• InChIKey: PJUIMOJAAPLTRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-sulfanylpropane-1,2-diol
• IUPAC Traditional name: thioglycerol
• Synonyms: 1-Thioglycerol; 3-MERCAPTO-1,2-PROPANEDIOL; thioglycerol; monothioglycerol; thioglyceril; thiovanol; monothioglyceril; glycerol-1-thiol; alpha-thiolglycerol; 3-Mercapto-1,2-propanediole; 3-Mercaptopropane-1,2-diol; α-Monothioglycerol; α-Thioglycerol; 2,3-Dihydroxypropanethiol; 3-Mercapto-1,2-propanediol; 3-sulfanylpropane-1,2-diol; α-Thioglycerol; 3-Mercapto-1,2-propanediol; α-MONOTHIOGLYCEROL; 1-Thioglycerol; α-Monothioglycerol; α-单硫代甘油; α-硫代甘油; 3-巯基-1,2-丙二醇; 1-硫代甘油; 3-硫基-1,2-丙烷二醇

Database IDs

• CAS Number: 96-27-5
• EC Number: 202-495-0
• MDL Number: MFCD00004879
• Beilstein Number: 1732046
• Merck Index: 149335
• PubChem SID: 24896684; 24888981; 24896709; 24888980; 24888978; 24897080; 24888979; 162091068
• PubChem CID: 7291
• Chemspider ID: 7019
• KEGG ID: D05075
• Unique Ingredient Identifier: AAO1P0WSXJ
• Wikipedia Title: 3-Mercaptopropane-1,2-diol

CALCULATED PROPERTIES

• Acid pKa: 9.920233
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -0.7435674
• LogD (pH = 7.4): -0.74476665
• Log P: -0.7435521
• Molar Refractivity: 26.6987 cm^3
• Polarizability: 10.593116 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 117-119°C/5mm; 118 °C/5 mmHg(lit.)
• Flash Point: 113 °C; 149°C(300°F); 235.4 °F
• Density: 1.247; 1.25 g/ml; 1.25 g/mL; 1.25 g/mL at 25 °C(lit.)
• Refractive Index: 1.5110; n20/D 1.521-1.526; n20/D 1.527; n20/D 1.527(lit.); n20/D 1.528
• Hydrophobicity(logP): -0.777
• pH: 3.5-7.0

Safety Information

• Storage Condition: 2-8°C, Store Under Nitrogen
• Storage Warning: Air Sensitive & Hygroscopic
• RTECS: TY8140000
• European Hazard Symbols: X; Irritant (Xi); Harmful (Xn)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 21/22-36/37/38; 22-36/37/38; R:36/37/38
• Safety Statements: 26-36; 26-36/37-60; S:20-25-26-37/39
• EU Classification: T1
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 153
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335; H302-H311-H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P312; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ~90% (RT); ≥97%; ≥97% (titration); ≥98.0% (GC); ≥98.5%; ≥98.5% (GC); ≥99.0% (GC); 90%; 90+%; 95%; 97.0-101.0% (calc. on anhydrous basis, T); 98%
• Grade: matrix substance for FAB-MS; purum; USP
• Suitability: suitable for cell culture
• Ignition Residue: ≤0.1%
• Impurities: ~10% water; ≤0.0005% Phosphorus (P); ≤0.002% heavy metals; ≤5.0% water; residual solvents, complies
• Cation Traces: Al: ≤0.0005%; Ca: ≤0.0005%; Ca: ≤10 mg/kg; Cd: ≤1 mg/kg; Co: ≤1 mg/kg; Cr: ≤1 mg/kg; Cu: ≤0.0005%; Cu: ≤1 mg/kg; Fe: ≤0.0005%; Fe: ≤1 mg/kg; K: ≤0.005%; K: ≤20 mg/kg; Mg: ≤0.0005%; Mg: ≤5 mg/kg; Mn: ≤1 mg/kg; Na: ≤0.005%; Na: ≤20 mg/kg; NH4+: ≤0.05%; Ni: ≤1 mg/kg; Pb: ≤0.001%; Pb: ≤1 mg/kg; Se: ≤0.003%; Zn: ≤0.0005%; Zn: ≤1 mg/kg
• Quality Level: GMP; PREMIUM
• Quality: dist.
• Linear Formula: HSCH2CH(OH)CH2OH

DETAILS

MP Biomedicals - 02194711

Cell Culture Reagent
Purity: 98%
1 ml = approx. 1.25 g

MP Biomedicals - 05207196

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02155723

(α-Thioglycerol; 3-Mercapto-1,2-propanediol) Purity: 98% 1 ml = approx. 1.25 g

Sigma Aldrich - M6145

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Cell culture studies of embryonic cortical and hippocampal neurons, mouse bone marrow mast cell lines, and human Β cell lines have utilized 1-thioglycerol as a component of the culture medium to stimulate proliferation.
包装
25, 100, 250 mL in glass bottle

Sigma Aldrich - 88640

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Potential substitute for 2-mercaptoethanol; probe for the study of lymphocyte activation1.

Sigma Aldrich - M1753

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
包装
100, 500 mL in glass bottle

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Frequently Asked Questions
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Sigma Aldrich - M2172

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.

Sigma Aldrich - 88639

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Used as a matrix for fast atom bombardment MS.1
Protocols & Applications
Methods of glycosylated protein analysis by Mass Spectrometry