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120279-85-8

Basic Information
CAS No.: 120279-85-8
Name: 5,6-DIHYDRO-4H-6-METHYLTHIENO[2,3-B]THIOPYRAN-4-ONE
Article Data: 6
Molecular Structure:
Molecular Structure of 120279-85-8 (5,6-DIHYDRO-4H-6-METHYLTHIENO[2,3-B]THIOPYRAN-4-ONE)
Formula: C8H8OS2
Molecular Weight: 184.283
Synonyms: 5,6-DIHYDRO-4H-6-METHYLTHIENO[2,3-B]THIOPYRAN-4-ONE;5,6-Dihydro-6-methylthieno[2,3-b]thiopyran-4-one(DorzolamideIntermediate);5,6-DIHYDRO-6-METHYL-4-OXO-4H-THIENO[2,3-B]THIOPYRAN;5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran;5,6-Dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-4-one;6-Methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-one
EINECS: 601-693-8
Density: 1.3 g/cm3
Boiling Point: 307.5 °C at 760 mmHg
Flash Point: 139.8 °C
PSA: 70.61000
LogP: 2.81510
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  • 6-METHYL-5,6-DIHYDRO-4H-THIENO[2,3-B]THIOPYRAN-4-ONE  CAS NO.120279-85-8

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    6-METHYL-5,6-DIHYDRO-4H-THIENO[2,3-B]THIOPYRAN-4-ONE CAS NO.120279-85-8

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Specification

The 5,6-Dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-4-one with the CAS number 120279-85-8 is also called 4H-Thieno[2,3-b]thiopyran-4-one,5,6-dihydro-6-methyl-. The systematic name is 6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-one. Its molecular formula is C8H8OS2. 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: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 49.5; (6)ACD/BCF (pH 7.4): 49.5; (7)ACD/KOC (pH 5.5): 568.37; (8)ACD/KOC (pH 7.4): 568.37; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 70.61 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 49.81 cm3; (15)Molar Volume: 141.7 cm3; (16)Polarizability: 19.74×10-24cm3; (17)Surface Tension: 47.9 dyne/cm; (18)Enthalpy of Vaporization: 54.81 kJ/mol; (19)Vapour Pressure: 0.000722 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2CC(C)Sc1sccc12
(2)InChI: InChI=1/C8H8OS2/c1-5-4-7(9)6-2-3-10-8(6)11-5/h2-3,5H,4H2,1H3
(3)InChIKey: FLJFMDYYNMNASJ-UHFFFAOYAN