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Basic Information
CAS No.: 33672-51-4
Name: Isopropyl propyl disulphide
Molecular Structure:
Molecular Structure of 33672-51-4 (Isopropyl propyl disulphide)
Formula: C6H14S2
Molecular Weight: 150.309
Synonyms: Disulfide,isopropyl propyl (6CI,7CI,8CI);1-Methylethyl propyl disulfide;2-Methyl-3,4-dithiaheptane;Isopropyl n-propyl disulfide;Isopropyl propyldisulfide;Disulfide,1-methylethyl propyl;
EINECS: 251-628-9
Density: 0.964 g/cm3
Melting Point: -77.24°C (estimate)
Boiling Point: 184.5 °C at 760 mmHg
Flash Point: 56.9 °C
PSA: 50.60000
LogP: 3.18620
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Specification

The Isopropyl propyl disulphide, with the CAS registry number 33672-51-4, is also known as 2-Methyl-3,4-dithiaheptane. Its EINECS number is 251-628-9. This chemical's molecular formula is C6H14S2 and molecular weight is 150.31. What's more, its systematic name is 1-(propan-2-yldisulfanyl)propane. 

Physical properties of Isopropyl propyl disulphide are: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/BCF (pH 5.5): 389.67; (5)ACD/KOC (pH 5.5): 2489; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 50.6 Å2; (8)Index of Refraction: 1.499; (9)Molar Refractivity: 45.79 cm3; (10)Molar Volume: 155.8 cm3; (11)Surface Tension: 31.5 dyne/cm; (12)Density: 0.964 g/cm3; (13)Flash Point: 56.9 °C; (14)Enthalpy of Vaporization: 40.35 kJ/mol; (15)Boiling Point: 184.5 °C at 760 mmHg; (16)Vapour Pressure: 1 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S(SC(C)C)CCC
(2)InChI: InChI=1S/C6H14S2/c1-4-5-7-8-6(2)3/h6H,4-5H2,1-3H3
(3)InChIKey: YCBVTHJPQCNICU-UHFFFAOYSA-N