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CAS No.: | 352524-37-9 |
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Name: | 2,3-DIHYDRO-5H-1,4-DITHIINO[2,3-B]INDOLE |
Molecular Structure: | |
Formula: | C10H9NS2 |
Molecular Weight: | 207.32 |
Synonyms: | 2,3-Dihydro-5H-[1,4]dithiino[2,3-b]indole; |
Density: | 1.404 g/cm3 |
Boiling Point: | 412.5 ºC at 760 mmHg |
Flash Point: | 203.3 ºC |
Hazard Symbols: | Xi |
PSA: | 66.39000 |
LogP: | 3.36570 |
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The CAS registry number of 5H-1,4-Dithiino[2,3-b]indole,2,3-dihydro- is 352524-37-9. The IUPAC name is 2,3-dihydro-5H-[1,4]dithiino[2,3-b]indole. In addition, the formula is C10H9NS2 and the molecular weight is 207.3152. It has irritant. What's more, it should be stored in a cool environment.
Physical properties about 5H-1,4-Dithiino[2,3-b]indole,2,3-dihydro- are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 55.53 Å2; (7)Index of Refraction: 1.787; (8)Molar Refractivity: 62.41 cm3; (9)Molar Volume: 147.6 cm3; (10)Polarizability: 24.74 ×10-24cm3; (11)Surface Tension: 70.5 dyne/cm; (12)Density: 1.404 g/cm3; (13)Flash Point: 203.3 °C; (14)Enthalpy of Vaporization: 63.93 kJ/mol; (15)Boiling Point: 412.5 °C at 760 mmHg; (16)Vapour Pressure: 1.23E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S1c2c3c(nc2SCC1)cccc3
(2)InChI: InChI=1/C10H9NS2/c1-2-4-8-7(3-1)9-10(11-8)13-6-5-12-9/h1-4,11H,5-6H2
(3)InChIKey: VLQFLCQBDYMBJQ-UHFFFAOYAZ