CAS No.148719-91-9,4H-Thieno[2,3-b]thiopyran-4-one,5,6-dihydro-6-methyl-, 7,7-dioxide, (6S) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	148719-91-9
Name:	4H-Thieno[2,3-b]thiopyran-4-one,5,6-dihydro-6-methyl-, 7,7-dioxide, (6S)
Article Data:	3

Formula:	C₈H₈O₃S₂
Molecular Weight:	216.282
Synonyms:	4H-Thieno[2,3-b]thiopyran-4-one,5,6-dihydro-6-methyl-, 7,7-dioxide, (S)-;(6S)-5,6-Dihydro-6-methyl-4-oxothieno[2,3-b]thiopyran-7,7-dioxide;
Density:	1.453 g/cm³
Boiling Point:	441.861 °C at 760 mmHg
Flash Point:	221.03 °C
PSA:	87.83000
LogP:	2.57750

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Specification

The (6S)-5,6-Dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-4-one 7,7-dioxide with cas registry number of 148719-91-9, whose systematic name is (6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-one 7,7-dioxide. And it is also named 4H-thieno[2,3-b]thiopyran-4-one, 5,6-dihydro-6-methyl-, 7,7-dioxide, (6S)-.

Physical properties about this chemical are: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 65; (8)ACD/KOC (pH 7.4): 65; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 87.83 Å²; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 50.276 cm³; (15)Molar Volume: 148.804 cm³; (16)Polarizability: 19.931×10^-24cm³; (17)Surface Tension: 52.353 dyne/cm; (18)Enthalpy of Vaporization: 69.923 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C2c1ccsc1S(=O)(=O)[C@H](C2)C;
(2)InChI:InChI=1/C8H8O3S2/c1-5-4-7(9)6-2-3-12-8(6)13(5,10)11/h2-3,5H,4H2,1H3/t5-/m0/s1;
(3)InChIKey:LQUUXMUPBQBKHA-YFKPBYRVBD;
(4)Std. InChI:InChI=1S/C8H8O3S2/c1-5-4-7(9)6-2-3-12-8(6)13(5,10)11/h2-3,5H,4H2,1H3/t5-/m0/s1;
(5)Std. InChIKey:LQUUXMUPBQBKHA-YFKPBYRVSA-N.