octathiocane

• ChemBase ID: 302710
• Molecular Formular: S8
• Molecular Mass: 256.52
• Monoisotopic Mass: 255.776568
• SMILES: S1SSSSSSS1
• Canonical SMILES: S1SSSSSSS1
• InChI: InChI=1S/S8/c1-2-4-6-8-7-5-3-1
• InChIKey: JLQNHALFVCURHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octathiocane
• IUPAC Traditional name: cyclooctasulfur
• Synonyms: Sulfur, plasma standard solution, Specpure®, S 1000 g/ml; Sulfur, plasma standard solution, Specpure®, S 10,000 g/ml; Sulfur powder, sublimed, -100 mesh; Sulfur, Oil based standard solution, Specpure®, S 1000 g/g; Sulfur powder, -325 mesh; Sulfur, Oil based standard solution, Specpure®, S 5000 g/g; Sulfur powder, precipitated; Sulfur pieces, Puratronic®; 硫,等离子标准溶液, Specpure®, S 1000®g/ml; 硫,等离子标准溶液, Specpure®, S 10,000®g/ml; 升华硫粉, -100 目; 硫, 油基标准溶液, Specpure®, S 1000μg/g; 硫粉, -325 目; 硫, 油基标准溶液, Specpure®, S 5000μg/g; 沉降硫粉 99.5%; 硫片, Puratronic®

Database IDs

• CAS Number: 7704-34-9
• EC Number: 231-722-6
• MDL Number: MFCD00085316; MFCD00242296

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.7551885
• LogD (pH = 7.4): 4.7551885
• Log P: 4.7551885
• Molar Refractivity: 46.0464 cm^3
• Polarizability: 24.927458 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid; Random Sizes

Safety Information

• RTECS: WS4250000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN1350
• Hazard Class: 4.1
• Packing Group: III
• Risk Statements: 11-38; 38
• Safety Statements: 46
• TSCA Listed: 否; 是
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H228-H315
• GHS Precautionary statements: P210-P241-P280-P302+P352-P321-P362

Product Information

• Purity: 99.5%; 99.999% (metals basis); 99.9995% (metals basis)