1-(pentylsulfanyl)pentane

• ChemBase ID: 107501
• Molecular Formular: C10H22S
• Molecular Mass: 174.34668
• Monoisotopic Mass: 174.1442217
• SMILES: CCCCCSCCCCC
• Canonical SMILES: CCCCCSCCCCC
• InChI: InChI=1S/C10H22S/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3
• InChIKey: JOZDADPMWLVEJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pentylsulfanyl)pentane
• IUPAC Traditional name: pentane, 1,1'-thiobis-
• Synonyms: n-AMYL SULFIDE; n-Amyl sulfide; Di-n-amyl sulfide; Di-n-pentyl sulfide; 正戊基硫醚

Database IDs

• CAS Number: 872-10-6
• EC Number: 212-820-8
• MDL Number: MFCD00027275
• Beilstein Number: 1698031
• PubChem SID: 162093239
• PubChem CID: 13382

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.552959
• LogD (pH = 7.4): 4.552959
• Log P: 4.552959
• Molar Refractivity: 55.9393 cm^3
• Polarizability: 22.25418 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -51°C
• Boiling Point: 228-230°C
• Flash Point: 85°C(185°F)
• Density: 0.840
• Refractive Index: 1.4560

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05203997

MP Biomedicals Rare Chemical collection