Basic Information | Post buying leads | Suppliers |
Name |
Bis(4-methacryloylthiophenyl) sulfide |
EINECS | N/A |
CAS No. | 129283-82-5 | Density | 1.26 g/cm3 |
PSA | 110.04000 | LogP | 6.22740 |
Solubility | N/A | Melting Point |
64 °C |
Formula | C20H18O2S3 | Boiling Point | 527.8 °C at 760 mmHg |
Molecular Weight | 386.56 | Flash Point | 220 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Propenethioicacid, 2-methyl-, S,S'-(thiodi-4,1-phenylene) ester (9CI);Bis(4-methacryloylthiophenyl)sulfide;MPSMA; |
The 2-Propenethioic acid,2-methyl-, S1,S1'-(thiodi-4,1-phenylene) ester is an organic compound with the formula C20H18O2S3. The systematic name of this chemical is S,S'-(sulfanediyldibenzene-4,1-diyl) bis(2-methylprop-2-enethioate). With the CAS registry number 129283-82-5, it is also named as S-(4-([4-(Methacryloylsulfanyl)phenyl]sulfanyl)phenyl) 2-methyl-2-propenethioate. The product's categories are Diphenyl Sulfides (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research.
Physical properties about 2-Propenethioic acid,2-methyl-, S1,S1'-(thiodi-4,1-phenylene) ester are: (1)ACD/LogP: 6.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.78; (4)ACD/LogD (pH 7.4): 6.78; (5)ACD/BCF (pH 5.5): 84163.02; (6)ACD/BCF (pH 7.4): 84163.02; (7)ACD/KOC (pH 5.5): 116676.07; (8)ACD/KOC (pH 7.4): 116676.07; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 110.04 Å2; (12)Index of Refraction: 1.651; (13)Molar Refractivity: 111.84 cm3; (14)Molar Volume: 306 cm3; (15)Polarizability: 44.34×10-24cm3; (16)Surface Tension: 54.8 dyne/cm; (17)Density: 1.26 g/cm3; (18)Flash Point: 220 °C; (19)Enthalpy of Vaporization: 80.25 kJ/mol; (20)Boiling Point: 527.8 °C at 760 mmHg; (21)Vapour Pressure: 3.14E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Sc2ccc(Sc1ccc(SC(=O)\C(=C)C)cc1)cc2)\C(=C)C
(2)InChI: InChI=1/C20H18O2S3/c1-13(2)19(21)24-17-9-5-15(6-10-17)23-16-7-11-18(12-8-16)25-20(22)14(3)4/h5-12H,1,3H2,2,4H3
(3)InChIKey: SPNAQSNLZHHUIJ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C20H18O2S3/c1-13(2)19(21)24-17-9-5-15(6-10-17)23-16-7-11-18(12-8-16)25-20(22)14(3)4/h5-12H,1,3H2,2,4H3
(5)Std. InChIKey: SPNAQSNLZHHUIJ-UHFFFAOYSA-N