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CAS No.: | 845266-23-1 |
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Name: | 5-ACETYL-3,4-DIMETHYLTHIENO[2,3-B]THIOPHENE-2-CARBONITRILE |
Molecular Structure: | |
Formula: | C11H9NOS2 |
Molecular Weight: | 235.33 |
Synonyms: | 5-Acetyl-3,4-dimethylthieno[2,3-b]thiophene-2-carbonitrile; |
EINECS: | 1.33 g/cm3 |
Density: | 1.33g/cm3 |
Boiling Point: | 421.6 °C at 760 mmHg |
Flash Point: | 208.8 °C |
PSA: | 97.34000 |
LogP: | 3.65388 |
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The Thieno[2,3-b]thiophene-2-carbonitrile,5-acetyl-3,4-dimethyl- has the CAS registry number 845266-23-1. This chemical's molecular formula is C11H9NOS2 and molecular weight is 235.33. What's more, its systematic name is 5-acetyl-3,4-dimethylthieno[2,3-b]thiophene-2-carbonitrile.
Physical properties of Thieno[2,3-b]thiophene-2-carbonitrile,5-acetyl-3,4-dimethyl- are: (1)ACD/LogP: 5.12; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 97.34 Å2; (7)Index of Refraction: 1.645; (8)Molar Refractivity: 63.77 cm3; (9)Molar Volume: 175.8 cm3; (10)Polarizability: 25.28×10-24cm3; (11)Surface Tension: 59.1 dyne/cm; (12)Density: 1.33 g/cm3; (13)Flash Point: 208.8 °C; (14)Enthalpy of Vaporization: 67.57 kJ/mol; (15)Boiling Point: 421.6 °C at 760 mmHg; (16)Vapour Pressure: 2.56E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1sc2sc(C#N)c(c2c1C)C)C
(2)InChI: InChI=1S/C11H9NOS2/c1-5-8(4-12)14-11-9(5)6(2)10(15-11)7(3)13/h1-3H3
(3)InChIKey: HNTUBBUWWQEURT-UHFFFAOYSA-N