4-METHYLDIPHENYL SULFIDE (CAS: 3699-01-2) - Chemical Structure and Molecular Formula
4-METHYLDIPHENYL SULFIDE (CAS: 3699-01-2) - Chemical Structure Thumbnail

4-METHYLDIPHENYL SULFIDE

Catalog No:   FT-0634978

CAS No:   3699-01-2

  • Chemical Name:  4-METHYLDIPHENYL SULFIDE
  • Molecular Formula:  C13H12S
  • Molecular Weight:  200.3
  • InChI Key:  CPZFPNKPHBCUOB-UHFFFAOYSA-N
  • InChI:  InChI=1S/C13H12S/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10H,1H3
Product pricing and availability information
Assay Pack Size Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Melting_Point: N/A
CAS: 3699-01-2
MF: C13H12S
Flash_Point: 141.0±15.9 °C
Product_Name: 4-Methylphenyl phenyl sulfide
Density: 1.1±0.1 g/cm3
FW: 200.299
Bolling_Point: 317.6±11.0 °C at 760 mmHg
Refractive_Index: 1.628
Vapor_Pressure: 0.0±0.7 mmHg at 25°C
Flash_Point: 141.0±15.9 °C
LogP: 4.91
Bolling_Point: 317.6±11.0 °C at 760 mmHg
FW: 200.299
PSA: 25.30000
Computational_Chemistry: ['1 . XlogP 48 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 未确定 ', '6 . TPSA 0 ', '7 . Heavy Atom Count 14 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 153 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
MF: C13H12S
Exact_Mass: 200.065964
Molecular_Structure: ['1. Molar refractive index 6409 ', '2. Molar volume 1805 ', '3. Parachor （902K）4681 ', '4. Surface tension 451 ', '5. Dielectric constant N/A ', '6. Polarizability 2541 ', '7. Single isotope mass 20006597Da ', '8. Nominal mass 200Da ', '9. Average mass 2002994Da']
Density: 1.1±0.1 g/cm3
Hazard_Codes: Xn: Harmful;
HS_Code: 2930909090

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