3-(trimethoxysilyl)propane-1-thiol

• ChemBase ID: 104293
• Molecular Formular: C6H16O3SSi
• Molecular Mass: 196.33994
• Monoisotopic Mass: 196.0589419
• SMILES: CO[Si](CCCS)(OC)OC
• Canonical SMILES: SCCC[Si](OC)(OC)OC
• InChI: InChI=1S/C6H16O3SSi/c1-7-11(8-2,9-3)6-4-5-10/h10H,4-6H2,1-3H3
• InChIKey: UUEWCQRISZBELL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(trimethoxysilyl)propane-1-thiol
• IUPAC Traditional name: 3-(trimethoxysilyl)propane-1-thiol
• Synonyms: 3-(Trimethoxysilyl)-1-propanethiol; (3-Mercaptopropyl)trimethoxysilane; 3-(trimethoxysilyl)propane-1-thiol; 3-(Trimethoxysilyl)propanethiol; 3-[Trimethoxysilyl]-1-propanethiol; (3-MERCAPTOPROPYL)-TRIMETHOXYSILANE; 3-(三甲氧基甲硅烷基)-1-丙硫醇; (3-巯基丙基)三甲氧基硅烷

Database IDs

• CAS Number: 4420-74-0
• EC Number: 224-588-5
• MDL Number: MFCD00004901
• Beilstein Number: 2038119
• PubChem SID: 24850516; 162091029
• PubChem CID: 20473

CALCULATED PROPERTIES

• Acid pKa: 10.201292
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0119922
• LogD (pH = 7.4): 1.0113795
• Log P: 1.012
• Molar Refractivity: 43.7761 cm^3
• Polarizability: 19.893354 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Melting Point: <-50°C
• Boiling Point: 198°C; 213-215 °C(lit.); 213-215°C
• Flash Point: 204.8 °F; 49°C; 96 °C; 96°C(204°F)
• Density: 1.05 g/ml; 1.050; 1.057 g/mL at 25 °C(lit.)
• Refractive Index: 1.4430; n20/D 1.444(lit.)

Safety Information

• Storage Condition: 2-8°C, Desiccate
• Storage Warning: Air & Moisture Sensitive
• RTECS: TZ7800000
• European Hazard Symbols: Flammable (F); Nature polluting (N); X; Harmful (Xn)
• UN Number: 1993; 3082; UN3082
• German water hazard class: 2
• Hazard Class: 3; 9
• Packing Group: 3; II; III
• Australian Hazchem: 3YE
• Risk Statements: 22-36/37/38-51/53; 22-43-51/53; R:10
• Safety Statements: 24/25-36/37-61; 26-36/37-57; S:9-16-29
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 128
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335-H411-H401; H302-H317-H411
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P273-P280
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Linear Formula: HS(CH2)3Si(OCH3)3

DETAILS

MP Biomedicals - 02155355

(3-[Trimethoxysilyl]-1-propanethiol) 1 ml = approx. 1.05 g.

Sigma Aldrich - 175617

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Packaging
25, 100, 500 g in glass bottle