DIMETHYL 3-THIAADIPATE


Catalog No:   FT-0625060

CAS No:   7400-45-5

  • Molecular Formula:  192.24
  • Formula Weight: C7H12O4S
  • Inchl Key: XNDKLLFGXIEGKL-UHFFFAOYSA-N
  • Inchl: InChI=1S/C7H12O4S/c1-10-6(8)3-4-12-5-7(9)11-2/h3-5H2,1-2H3

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Bolling_Point: 258-259ºC(lit.)
Symbol: GHS02
MF: C7H12O4S
Melting_Point: N/A
Flash_Point: 130 °F
FW: 192.23300
Product_Name: methyl 3-(2-methoxy-2-oxoethyl)sulfanylpropanoate
CAS: 7400-45-5
Density: 1.164g/cm3
PSA: 77.90000
Bolling_Point: 258-259ºC(lit.)
Molecular_Structure: ['五分子性质数据 ', '1 . Molar refractive index 4602 ', '2 . Molar volume (m3/mol)1650 ', '3 . Parachor (902K)4107 ', '4 . Surface tension 383 ', '5 . Polarizability 1824']
LogP: 0.45570
More_Info: ['1 . Appearance Liquid ', '2 . Density(g/mLat 25°C)1154 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC,Atmospheric pressure)285-289 ', '6 . Boiling point(ºC,01mmHg)Unknow ', '7 . Refractive index(n20/D)14750 ', '8 . Flash point(ºC)74 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(mmHg,37ºC)Unknow ', '12 . Saturated vapor pressure(kPa,1144 ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(MPa)Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility Unknow']
MF: C7H12O4S
Computational_Chemistry: ['1. XlogP :06 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 779 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :158 ', '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']
Refractive_Index: n20/D 1.4750(lit.)
Flash_Point: 130 °F
FW: 192.23300
Exact_Mass: 192.04600
Density: 1.164g/cm3
Safety_Statements: 16-24/25
Symbol: GHS02
HS_Code: 2930909090
Personal_Protective_Equipment: Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Risk_Statements(EU): 10
RIDADR: UN 1993 3/PG 3

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