decane-1,10-dithiol

• ChemBase ID: 108840
• Molecular Formular: C10H22S2
• Molecular Mass: 206.41168
• Monoisotopic Mass: 206.1162927
• SMILES: SCCCCCCCCCCS
• Canonical SMILES: SCCCCCCCCCCS
• InChI: InChI=1S/C10H22S2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2
• InChIKey: UOQACRNTVQWTFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decane-1,10-dithiol
• IUPAC Traditional name: decane-1,10-dithiol
• Synonyms: DECAMETHYLENE DIMERCAPTAN; 1,10-Decanedithiol; 1,10-癸二硫醇

Database IDs

• CAS Number: 1191-67-9
• EC Number: 214-739-3
• MDL Number: MFCD00022095
• Beilstein Number: 1738606
• PubChem SID: 162094352
• PubChem CID: 14494

CALCULATED PROPERTIES

• Acid pKa: 9.899794
• H Acceptors: 0
• H Donor: 2
• LogD (pH = 5.5): 4.538778
• LogD (pH = 7.4): 4.53752
• Log P: 4.538794
• Molar Refractivity: 63.7268 cm^3
• Polarizability: 25.288252 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 17°C
• Boiling Point: 171-172°C/0.5mm
• Density: 0.950
• Refractive Index: 1.4990

Safety Information

• Storage Warning: Air Sensitive
• RTECS: HD8455000
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN3334
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 05208917

MP Biomedicals Rare Chemical collection