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CAS No.: | 129283-82-5 |
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Name: | BIS(4-METHACRYLOYLTHIOPHENYL) SULFIDE |
Molecular Structure: | |
Formula: | C20H18O2S3 |
Molecular Weight: | 386.56 |
Synonyms: | 2-Propenethioicacid, 2-methyl-, S,S'-(thiodi-4,1-phenylene) ester (9CI);Bis(4-methacryloylthiophenyl)sulfide;MPSMA; |
Density: | 1.26 g/cm3 |
Melting Point: | 64 °C |
Boiling Point: | 527.8 °C at 760 mmHg |
Flash Point: | 220 °C |
PSA: | 110.04000 |
LogP: | 6.22740 |
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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