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1,11-Undecanedithiol

  • Name 1,11-Undecanedithiol
  • EINECSN/A
  • CAS No. 63476-06-2
  • Density0.925 g/cm3
  • PSA77.60000
  • LogP4.35690
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC11H24S2
  • Boiling Point313.361 °C at 760 mmHg
  • Molecular Weight220.444
  • Flash Point124.532 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 63476-06-2 (1,11-UNDECANEDITHIOL, 99%)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data3

1,11-Undecanedithiol Specification

The 1,11-Undecanedithiol has the CAS registry number 63476-06-2. It belongs to the product categories of Self Assembly & Contact Printing; Self-Assembly Materials; Thiols. This chemical's molecular formula is C11H24S2 and molecular weight is 220.44. What's more, its systematic name is undecane-1,11-dithiol.

Physical properties of 1,11-Undecanedithiol are: (1)ACD/LogP: 5.74; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 8309; (6)ACD/BCF (pH 7.4): 8298; (7)ACD/KOC (pH 5.5): 22243; (8)ACD/KOC (pH 7.4): 22213; (9)#Freely Rotating Bonds: 12; (10)Polar Surface Area: 77.6 Å2; (11)Index of Refraction: 1.489; (12)Molar Refractivity: 68.803 cm3; (13)Molar Volume: 238.206 cm3; (14)Polarizability: 27.276×10-24cm3; (15)Surface Tension: 33.599 dyne/cm; (16)Density: 0.925 g/cm3; (17)Flash Point: 124.532 °C; (18)Enthalpy of Vaporization: 53.233 kJ/mol; (19)Boiling Point: 313.361 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: SCCCCCCCCCCCS
(2)InChI: InChI=1S/C11H24S2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2
(3)InChIKey: ODMTYGIDMVZUER-UHFFFAOYSA-N

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