Predicted properties of the compound entered.
Other Names and Identifiers |
Standard InChI (User Input) | 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 |
Standard InChIKey (User Input) | InChIKey=LHBHZALHFIQJGJ-CABCVRRESA-N |
Non-Standard InChI | |
Non-Standard InChIKey | |
Other Names and Identifiers | (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one | 42399-49-5 | AC-509/25001342 | (2S-cis)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one | 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, (2S-cis)- | EINECS 255-799-0 | 3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one | MLS001180963 | SMR000475704 | 475548_ALDRICH | ZINC00403210 | ST5405915 | (2S-cis)-()-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one |
Property | Value | Unit | Accuracy |
Absolute Entropy of Ideal Gas at 298.15K and 1bar | - | - | - |
Acentric Factor | - | - | - |
Critical Compressibility Factor | - | - | - |
Critical Pressure | - | - | - |
Critical Temperature | - | - | - |
Critical Volume | - | - | - |
Enthalpy of Formation for Ideal Gas at 298.15K | - | - | - |
Liquid Molar Volume at 298.15K | - | - | - |
Molecular Weight | - | - | - |
Net Standard State Enthalpy of Combustion at 298.15K | - | - | - |
Normal Boiling Point | - | - | - |
Melting Point | - | - | - |
Refractive Index | - | - | - |
Solubility Parameter at 298.15K | - | - | - |
Standard State Absolute Entropy at 298.15K and 1bar | - | - | - |
Standard State Enthalpy of Formation at 298.15K and 1bar | - | - | - |
Magnetic Susceptibility | - | - | - |
Polarizability | - | - | - |
Flash Point | - | - | - |
Parachor | - | - | - |
Lower Flammability Limit Temperature | - | - | - |
Lower Flammability Limit Volume Percent | - | - | - |
Upper Flammability Limit Temperature | - | - | - |
Upper Flammability Limit Volume Percent | - | - | - |
Liquid Density at Normal Boiling Point | - | - | - |
Heat of Vaporization at 298.15K | - | - | - |
Heat of Vaporization at Normal Boiling Point | - | - | - |
Water Solubility | - | - | - |