(2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

Catalog No: FT-0653154

CAS No: 42399-49-5

Molecular Formula: 301.4
Formula Weight: C16H15NO3S
Inchl Key: LHBHZALHFIQJGJ-CABCVRRESA-N
Inchl: InChI=1S/C16H15NO3S/c1-20-11-8-6-10(7-9-11)15-14(18)16(19)17-12-4-2-3-5-13(12)21-15/h2-9,14-15,18H,1H3,(H,17,19)/t14-,15+/m1/s1

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

Melting_Point:	203-206 °C(lit.)
CAS:	42399-49-5
MF:	C16H15NO3S
Flash_Point:	283.7±30.1 °C
Product_Name:	(2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
Density:	1.3±0.1 g/cm3
FW:	301.360
Bolling_Point:	545.4±50.0 °C at 760 mmHg

Refractive_Index:	1.635
Vapor_Pressure:	0.0±1.5 mmHg at 25°C
Flash_Point:	283.7±30.1 °C
LogP:	2.08
Bolling_Point:	545.4±50.0 °C at 760 mmHg
PSA:	83.86000
Molecular_Structure:	['1 . Molar refractive index 8278 ', '2 . Molar volume （m3/mol）2311 ', '3 . Parachor （902K）6237 ', '4 . Surface tension 529 ', '5 . Polarizability （10 -24cm 3）3281']
Computational_Chemistry:	['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :5 ', '6. TPSA 839 ', '7. Heavy Atom Count :21 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :371 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :2 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point:	203-206 °C(lit.)
MF:	C16H15NO3S
Exact_Mass:	301.077271
FW:	301.360
Density:	1.3±0.1 g/cm3
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）203-206 ', '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）112（ C=05, 甲醇） ', '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 无可用']