2-{[(furan-2-ylmethyl)disulfanyl]methyl}furan

• ChemBase ID: 146771
• Molecular Formular: C10H10O2S2
• Molecular Mass: 226.3152
• Monoisotopic Mass: 226.01222156
• SMILES: c1cc(oc1)CSSCc1ccco1
• Canonical SMILES: S(Cc1ccco1)SCc1ccco1
• InChI: InChI=1S/C10H10O2S2/c1-3-9(11-5-1)7-13-14-8-10-4-2-6-12-10/h1-6H,7-8H2
• InChIKey: CBJPZHSWLMJQRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(furan-2-ylmethyl)disulfanyl]methyl}furan
• IUPAC Traditional name: 2-{[(furan-2-ylmethyl)disulfanyl]methyl}furan
• Synonyms: Difurfuryl disulfide; Furfuryl disulfide; Furfuryl disulfide; 2,2′-(Dithiodimethylene)difuran; 二糠基二硫醚; 二糠基二硫; 二糠基二硫; 2,2′-(二硫代二亚甲基)二呋喃

Database IDs

• CAS Number: 4437-20-1
• EC Number: 224-649-6
• MDL Number: MFCD00010082
• PubChem SID: 24901488; 24856034; 162240963
• PubChem CID: 20499
• FEMA ID: 3146
• Council of Europe Number: 11480
• Flavis Number: 13.05

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4106438
• LogD (pH = 7.4): 2.4106438
• Log P: 2.4106438
• Molar Refractivity: 61.3194 cm^3
• Polarizability: 23.504522 Å^3
• Polar Surface Area: 26.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 10-11 °C(lit.)
• Boiling Point: 112-115 °C/0.5 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.233 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.585(lit.)
• Organoleptic: meaty

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥95%; 95%
• Grade: FG; Halal; Kosher; NI
• Empirical Formula (Hill Notation): C10H10O2S2

DETAILS

Sigma Aldrich - W314609

Packaging
1 kg in glass bottle
1 sample in glass bottle
100, 250 g in glass bottle

Sigma Aldrich - 264768

Packaging
1 g in glass bottle