Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,3,4,5-Tetrahydro-7-methoxy-1,4-benzothiazepine |
EINECS | N/A |
CAS No. | 145903-31-7 | Density | 1.125 g/cm3 |
PSA | 46.56000 | LogP | 2.21930 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H13NOS | Boiling Point | 336.9 °C at 760 mmHg |
Molecular Weight | 195.285 | Flash Point | 157.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
7-Methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine;7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine; |
Article Data | 9 |
The CAS registry number of 2,3,4,5-Tetrahydro-7-methoxy-1,4-benzothiazepine is 145903-31-7. The IUPAC name is 7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine. In addition, the molecular formula is C10H13NOS and the molecular weight is 195.28. It should be stored in a cool and dry place.
Physical properties about 2,3,4,5-Tetrahydro-7-methoxy-1,4-benzothiazepine are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 37.77 Å2; (7)Index of Refraction: 1.566; (8)Molar Refractivity: 56.61 cm3; (9)Molar Volume: 173.5 cm3; (10)Polarizability: 22.44 ×10-24cm3; (11)Surface Tension: 40.7 dyne/cm; (12)Density: 1.125 g/cm3; (13)Flash Point: 157.5 °C; (14)Enthalpy of Vaporization: 58.01 kJ/mol; (15)Boiling Point: 336.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000109 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O(c2ccc1SCCNCc1c2)C
(2)InChI:InChI=1/C10H13NOS/c1-12-9-2-3-10-8(6-9)7-11-4-5-13-10/h2-3,6,11H,4-5,7H2,1H3
(3)InChIKey:VXSSDKLUAZVADY-UHFFFAOYAS