Butane, 1-(propylthio)- supplier

Name
N-BUTYL N-PROPYL SULPHIDE
EINECS
CAS No. 1613-46-3
Article Data2
CAS DataBase
Density 0.836 g/cm³
Solubility
Melting Point -66.8°C (estimate)
Formula C₇H₁₆S
Boiling Point 167.2 °C at 760 mmHg
Molecular Weight 132.27
Flash Point 52.8 °C
Transport Information
Appearance
Safety
Risk Codes R10
Molecular Structure
Hazard Symbols R10:Flammable.;
Synonyms Sulfide,butyl propyl (6CI,7CI,8CI);4-Thiaoctane;Butyl propyl sulfide;NSC 163955;Propyl butyl sulfide;
PSA 25.30000
LogP 2.92970

Butane, 1-(propylthio)- Specification

The Butane, 1-(propylthio)-, with the CAS registry number 1613-46-3, is also known as Butyl propyl sulfide. This chemical's molecular formula is C₇H₁₆S and molecular weight is 132.27. What's more, its systematic name is 1-propylsulfanylbutane.

Physical properties of Butane, 1-(propylthio)- are: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 25.3 Å²; (5)Index of Refraction: 1.45; (6)Molar Refractivity: 42.47 cm³; (7)Molar Volume: 158 cm³; (8)Surface Tension: 27.3 dyne/cm; (9)Density: 0.836 g/cm³; (10)Flash Point: 52.8 °C; (11)Enthalpy of Vaporization: 38.7 kJ/mol; (12)Boiling Point: 167.2 °C at 760 mmHg; (13)Vapour Pressure: 2.27 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-iodo-butane, propane-1-thiol by heating. This reaction will need reagent Na₂CO₃ and solvent acetone with the reaction time of 24 hours. This reaction will also need catalyst Pt(dppm)Cl₂. The yield is about 87%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCSCCC
(2)InChI: InChI=1S/C7H16S/c1-3-5-7-8-6-4-2/h3-7H2,1-2H3
(3)InChIKey: ZBRWJPVULTZZCE-UHFFFAOYSA-N

Product Name

N-BUTYL N-PROPYL SULPHIDE

Butane, 1-(propylthio)- Specification

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