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CAS No.: | 4341-34-8 |
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Name: | 2-(2-Thiophenylmethyl)thiophene |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C9H8S2 |
Molecular Weight: | 180.29 |
Synonyms: | Thiophene,2,2'-methylenedi- (6CI,7CI,8CI);2,2'-Dithienylmethane;2,2'-Methylenebis[thiophene];Bis(2-thienyl)methane;Di-2-Thienylmethane;NSC229880; |
Density: | 1.219g/cm3 |
Melting Point: | 44.0 to 48.0 °C |
Boiling Point: | 261.7°C at 760mmHg |
Flash Point: | 81.3°C |
PSA: | 56.48000 |
LogP: | 3.40040 |
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The 2-(2-Thiophenylmethyl)thiophene with the CAS number 4341-34-8 is also called Thiophene,2,2'-methylenebis-. The IUPAC name is 2-(thiophen-2-ylmethyl)thiophene. Its molecular formula is C9H8S2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.56; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 300.56; (6)ACD/BCF (pH 7.4): 300.56; (7)ACD/KOC (pH 5.5): 2066.84; (8)ACD/KOC (pH 7.4): 2066.84; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 56.48 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 52.33 cm3; (15)Molar Volume: 147.7 cm3; (16)Polarizability: 20.74×10-24cm3; (17)Surface Tension: 45.8 dyne/cm; (18)Enthalpy of Vaporization: 47.93 kJ/mol; (19)Vapour Pressure: 0.0185 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: s1cccc1Cc2sccc2
(2)InChI: InChI=1/C9H8S2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h1-6H,7H2
(3)InChIKey: JZSRHKOFXIACDX-UHFFFAOYAV