CAS No.147086-79-1,4H-Thieno[2,3-b]thiopyran-4-one,5,6-dihydro-6-methyl-, (6S) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	147086-79-1
Name:	4H-Thieno[2,3-b]thiopyran-4-one,5,6-dihydro-6-methyl-, (6S)
Article Data:	4

Formula:	C₈H₈OS₂
Molecular Weight:	184.283
Synonyms:	4H-Thieno[2,3-b]thiopyran-4-one,5,6-dihydro-6-methyl-, (S)-;(6S)-5,6-Dihydro-6-methylthieno[2,3-b]thiopyran-4-one;6S-5,6-dihydro-6-methyl-4H-thieno[2,3-b]-thiopyran-4-one;
EINECS:	682-527-1
Density:	1.300 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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Specification

The (6S)-5,6-Dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-4-one, with the CAS registry number 147086-79-1, has the systematic name of (6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-one. The molecular formula of the chemical is C₈H₈OS₂.

The characteristics of this chemical are as followings: (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)Density: 1.3 g/cm³; (19)Flash Point: 139.8 °C; (20)Enthalpy of Vaporization: 54.81 kJ/mol; (21)Boiling Point: 307.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000722 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1c2ccsc2S[C@H](C1)C
(2)InChI: InChI=1/C8H8OS2/c1-5-4-7(9)6-2-3-10-8(6)11-5/h2-3,5H,4H2,1H3/t5-/m0/s1
(3)InChIKey: FLJFMDYYNMNASJ-YFKPBYRVBT