CAS No.4251-16-5,Propyl thiocyanate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4251-16-5
Name:	Propyl thiocyanate
Article Data:	17

Formula:	C₄H₇NS
Molecular Weight:	101.172
Synonyms:	Propane,1-thiocyanato-;Propyl thiocyanate;
EINECS:	224-214-0
Density:	0.992 g/cm³
Boiling Point:	164.7 °C at 760 mmHg
Flash Point:	53.4 °C
PSA:	49.09000
LogP:	1.61068

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Specification

The CAS register number of Propyl thiocyanate is 4251-16-5. It also can be called as Thiocyanic acid, propylester and the IUPAC name about this chemical is propyl thiocyanate. The molecular formula about this chemical is C₄H₇NS.

Physical properties about Propyl thiocyanate are: (1)ACD/LogP: 1.50; (2)ACD/LogD (pH 5.5): 1.5; (3)ACD/LogD (pH 7.4): 1.5; (4)ACD/BCF (pH 5.5): 8.11; (5)ACD/BCF (pH 7.4): 8.11; (6)ACD/KOC (pH 5.5): 155.69; (7)ACD/KOC (pH 7.4): 155.69; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 49.09Å²; (11)Index of Refraction: 1.471; (12)Molar Refractivity: 28.49 cm³; (13)Molar Volume: 101.9 cm³; (14)Polarizability: 11.29x10^-24cm³; (15)Surface Tension: 36.3 dyne/cm; (16)Enthalpy of Vaporization: 40.12 kJ/mol; (17)Boiling Point: 164.7 °C at 760 mmHg; (18)Vapour Pressure: 1.94 mmHg at 25°C.

Uses of Propyl thiocyanate: it can be used to produce dipropyldisulfane at temperature of 60 ℃. This reaction will need reagent NH₃ and solvent H₂O, propan-2-ol with reaction time of 8 hours. The yield is about 65.1%.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CSCCC
(2)InChI: InChI=1/C4H7NS/c1-2-3-6-4-5/h2-3H2,1H3
(3)InChIKey: VDQRHYCVPYJPHU-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C4H7NS/c1-2-3-6-4-5/h2-3H2,1H3
(5)Std. InChIKey: VDQRHYCVPYJPHU-UHFFFAOYSA-N