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| CAS No.: | 3877-15-4 |
|---|---|
| Name: | METHYL PROPYL SULFIDE |
| Molecular Structure: | |
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| Formula: | C4H10S |
| Molecular Weight: | 90.1894 |
| Synonyms: | Sulfide,methyl propyl (6CI,7CI,8CI);1-(Methylthio)propane;2-Thiapentane; |
| EINECS: | 223-403-5 |
| Density: | 0.831 g/cm3 |
| Melting Point: | -113 °C |
| Boiling Point: | 94.1 °C at 760 mmHg |
| Flash Point: | 0 °C |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 16-26-36 |
| Transport Information: | UN 1993 3/PG 2 |
| PSA: | 25.30000 |
| LogP: | 1.75940 |
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Specification
The CAS register number of Methyl n-propyl sulfide is 3877-15-4. It also can be called as Propane, 1-(methylthio)- and the IUPAC name about this chemical is 1-methylsulfanylpropane. The molecular formula about this chemical is C4H10S and molecular weight is 90.19. It belongs to the Sulfide Flavor.
Physical properties about Methyl n-propyl sulfide are: (1)ACD/LogP: 1.95; (2)ACD/LogD (pH 5.5): 1.95; (3)ACD/LogD (pH 7.4): 1.95; (4)ACD/BCF (pH 5.5): 17.86; (5)ACD/BCF (pH 7.4): 17.86; (6)ACD/KOC (pH 5.5): 274.03; (7)ACD/KOC (pH 7.4): 274.03; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 25.3Å2; (10)Index of Refraction: 1.439; (11)Molar Refractivity: 28.57 cm3; (12)Molar Volume: 108.5 cm3; (13)Polarizability: 11.32x10-24cm3; (14)Surface Tension: 24.6 dyne/cm; (15)Enthalpy of Vaporization: 32.08 kJ/mol; (16)Boiling Point: 94.1 °C at 760 mmHg; (17)Vapour Pressure: 54.7 mmHg at 25°C.
Uses of Methyl n-propyl sulfide: it can be used to produce 1-methanesulfonyl-propane. This reaction will need reagent water and potassium permanganate.
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When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and keep away from sources of ignition. 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(CCC)C
(2)InChI: InChI=1/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3
(3)InChIKey: ZOASGOXWEHUTKZ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3
(5)Std. InChIKey: ZOASGOXWEHUTKZ-UHFFFAOYSA-N