Tropine-3-thiol supplier | CasNO.228573-90-8

Name
Tropine-3-thiol
EINECS 1533716-785-6
CAS No. 228573-90-8
Density 1.07
Solubility
Melting Point
Formula C₈H₁₅NS
Boiling Point 216 ºC
Molecular Weight 157.28
Flash Point 84 ºC
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Tropine-3-thiol;8-Methyl-8-azabicyclo[3.2.1]octane-3-thiol
PSA 42.04000
LogP 1.47930

Tropine-3-thiol Specification

The Tropine-3-thiol, with the CAS registry number 228573-90-8, is also known as 8-Methyl-8-azabicyclo[3.2.1]octane-3-thiol. This chemical's molecular formula is C₈H₁₅NS and molecular weight is 157.28. Its systematic name is called 8-methyl-3-sulfanyl-8-azabicyclo[3.2.1]octan-3-ol.

Physical properties of Tropine-3-thiol: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.586; (11)Molar Refractivity: 48.233 cm³; (12)Molar Volume: 143.709 cm³; (13)Surface Tension: 48.828 dyne/cm; (14)Density: 1.206 g/cm³; (15)Flash Point: 130.495 °C; (16)Enthalpy of Vaporization: 61.685 kJ/mol; (17)Boiling Point: 292.162 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CN1C2CCC1CC(C2)(O)S
(2)InChI: InChI=1/C8H15NOS/c1-9-6-2-3-7(9)5-8(10,11)4-6/h6-7,10-11H,2-5H2,1H3
(3)InChIKey: YNGROMHXSREKEU-UHFFFAOYAG

Product Name

Tropine-3-thiol

Tropine-3-thiol Specification

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