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2,3,4,5-Tetrahydro-7-methoxy-1,4-benzothiazepine

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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 Molecular Structure of 145903-31-7 (2,3,4,5-Tetrahydro-7-methoxy-1,4-benzothiazepine) 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

2,3,4,5-Tetrahydro-7-methoxy-1,4-benzothiazepine Specification

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

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