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4110-50-3

Basic Information
CAS No.: 4110-50-3
Name: ETHYL N-PROPYL SULFIDE
Article Data: 16
Molecular Structure:
Molecular Structure of 4110-50-3 (ETHYL N-PROPYL SULFIDE)
Formula: C5H12S
Molecular Weight: 104.216
Synonyms: Sulfide,ethyl propyl (6CI,7CI,8CI);1-(Ethylthio)propane;3-Thiahexane;Ethyl n-propylsulfide;Ethyl propyl sulfide;Ethyl propyl thio ether;NSC 163319;Propylethyl sulfide;
EINECS: 223-890-4
Density: 0.833 g/cm3
Melting Point: -117°C
Boiling Point: 120.2 °C at 760 mmHg
Flash Point: 18.9 °C
Hazard Symbols: R11:Highly flammable.; R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes: 11-36/37/38
Safety: 16-23-26-36
Transport Information: 1993
PSA: 25.30000
LogP: 2.14950
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    ETHYL N-PROPYL SULFIDE Basic information Product Name: ETHYL N-PROPYL SULFIDE Synonyms: ETHYL N-PROPYL SULFIDE;ETHYL N-PROPYL SULPHIDE;ETHYL PROPYL SULFIDE;1-(Ethyl

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Specification

The CAS register number of Ethyl propyl sulphide is 4110-50-3. It also can be called as Propane, 1-(ethylthio)- and the IUPAC name about this chemical is 1-ethylsulfanylpropane. The molecular formula about this chemical is C5H12S and the molecular weight is 104.21. This chemical can be used in organic synthesis.

Physical properties about Ethyl propyl sulphide are: (1)ACD/LogP: 2.48; (2)ACD/LogD (pH 5.5): 2.48; (3)ACD/LogD (pH 7.4): 2.48; (4)ACD/BCF (pH 5.5): 45.27; (5)ACD/BCF (pH 7.4): 45.27; (6)ACD/KOC (pH 5.5): 533.16; (7)ACD/KOC (pH 7.4): 533.16; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 25.3Å2; (10)Index of Refraction: 1.443; (11)Molar Refractivity: 33.21 cm3; (12)Molar Volume: 125 cm3; (13)Polarizability: 13.16x10-24cm3; (14)Surface Tension: 25.7 dyne/cm; (15)Flash Point: 18.9 °C; (16)Enthalpy of Vaporization: 34.35 kJ/mol; (17)Boiling Point: 120.2 °C at 760 mmHg; (18)Vapour Pressure: 18.4 mmHg at 25°C.

Uses of Ethyl propyl sulphidee: it can be used to produce 1-ethanesulfinyl-propane at temperature of 40 - 50 ℃. This reaction will need reagent oxygen, nitrogen dioxide.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. It is irritating to eyes, respiratory system and skin. If you want to use this chemical, please keep away from sources of ignition and do not breathe vapour. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: S(CC)CCC
(2)InChI: InChI=1/C5H12S/c1-3-5-6-4-2/h3-5H2,1-2H3
(3)InChIKey: ZDDDFDQTSXYYSE-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C5H12S/c1-3-5-6-4-2/h3-5H2,1-2H3
(5)Std. InChIKey: ZDDDFDQTSXYYSE-UHFFFAOYSA-N