CAS No.120280-13-9,trans-6-Methyl-4-ethylamino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide Suppliers

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Molecular Structure:
CAS No.:	120280-13-9
Name:	trans-6-Methyl-4-ethylamino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide
Article Data:	8

Formula:	C₁₀H₁₆N₂O₄S₃
Molecular Weight:	324.446
Synonyms:	4-(ethylamino)-5,6-dihydro-6-methyl-4h-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide;trans-6-methyl-4-ethylamino-5,6-dihydro-4h-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide;4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide
Density:	1.53 g/cm³
Boiling Point:	575.8 °C at 760 mmHg
Flash Point:	302 °C
PSA:	151.33000
LogP:	3.86480

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Specification

The trans-6-Methyl-4-ethylamino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide, with the cas registry number of 120280-13-9, is also known as 4-(Ethylamino)-5,6-dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide and 4,5-Dichloro-benzene-1,3-disulfonic acid diamide. This chemical's molecular formula is C₁₀H₁₆N₂O₄S₃ and formula weight is 324.444. What's more, its systematic name is called 4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide.

Physical properties about this chemical are: (1)ACD/LogP: -0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.71; (4)ACD/LogD (pH 7.4): -2.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 119.76 Å²; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 75.48 cm³; (15)Molar Volume: 211 cm³; (16)Surface Tension: 69.4 dyne/cm; (17)Enthalpy of Vaporization: 86.23 kJ/mol; (18)Vapour Pressure: 2.93E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1sc2c(c1)C(NCC)CC(C)S2(=O)=O)N; (2)InChI: InChI=1/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);
(3)InChIKey: IAVUPMFITXYVAF-UHFFFAOYAE;
(4)Std. InChI: InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);
(5)Std. InChIKey: IAVUPMFITXYVAF-UHFFFAOYSA-N.