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216983-03-8

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Basic Information
CAS No.: 216983-03-8
Name: 2,4,7-TRIMETHYLDIBENZOTHIOPHENE
Molecular Structure:
Molecular Structure of 216983-03-8 (2,4,7-TRIMETHYLDIBENZOTHIOPHENE)
Formula: C15H14S
Molecular Weight: 226.342
Synonyms: 2,4,7-TRIMETHYLDIBENZOTHIOPHENE
Density: 1.154 g/cm3
Boiling Point: 380.1 °C at 760 mmHg
Flash Point: 137.4 °C
PSA: 28.24000
LogP: 4.97970
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Specification

The Dibenzothiophene,2,4,7-trimethyl- has the CAS registry number 216983-03-8. This chemical's molecular formula is C15H14S and molecular weight is 226.34. What's more, its systematic name is 2,4,7-trimethyldibenzo[b,d]thiophene.

Physical properties of Dibenzothiophene,2,4,7-trimethyl- are: (1)ACD/LogP: 5.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.76; (4)ACD/LogD (pH 7.4): 5.76; (5)ACD/BCF (pH 5.5): 14053.21; (6)ACD/BCF (pH 7.4): 14053.21; (7)ACD/KOC (pH 5.5): 32401.55; (8)ACD/KOC (pH 7.4): 32401.55; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.24 Å2; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 74.79 cm3; (15)Molar Volume: 195.9 cm3; (16)Polarizability: 29.65×10-24cm3; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.154 g/cm3; (19)Flash Point: 137.4 °C; (20)Enthalpy of Vaporization: 60.36 kJ/mol; (21)Boiling Point: 380.1 °C at 760 mmHg; (22)Vapour Pressure: 1.22E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: s1c3c(c2cc(cc(c12)C)C)ccc(c3)C
(2)InChI: InChI=1S/C15H14S/c1-9-4-5-12-13-7-10(2)6-11(3)15(13)16-14(12)8-9/h4-8H,1-3H3
(3)InChIKey: YDWNRDFOOADVGC-UHFFFAOYSA-N