Molecular Formula: 358.4
Formula Weight: C17H14N2O5S
Inchl Key: VBRNLOQCBCPPHL-UHFFFAOYSA-N
Inchl: InChI=1S/C17H14N2O5S/c1-10-6-7-14(20)13(8-10)18-19-17-12-5-3-2-4-11(12)16(9-15(17)21)25(22,23)24/h2-9,20-21H,1H3,(H,22,23,24)

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	Calmagite
Flash_Point:	N/A
Melting_Point:	300ºC
FW:	358.368
Density:	1.5±0.1 g/cm3
CAS:	3147-14-6
Bolling_Point:	N/A
MF:	C17H14N2O5S

Molecular_Structure:	['1 . Molar refractive index 9147 ', '2 . Molar volume （m3/mol）2413 ', '3 . Parachor （902K）6764 ', '4 . Surface tension 616 ', '5 . Polarizability 3626']
Refractive_Index:	1.682
FW:	358.368
Density:	1.5±0.1 g/cm3
Computational_Chemistry:	['1 . XlogP 21 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 7 ', '4 . Rotatable Bond Count 3 ', '5 . TPSA 116 ', '6 . Heavy Atom Count 25 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 694 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 1 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
LogP:	1.45
Melting_Point:	300ºC
PSA:	127.93000
MF:	C17H14N2O5S
More_Info:	['1 . Appearance 黑紫色粉末 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 能Soluble in Water 醇and 稀碱溶液']
Exact_Mass:	358.062347