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| CAS No.: | 872-10-6 |
|---|---|
| Name: | N-AMYL SULFIDE |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C10H22S |
| Molecular Weight: | 174.351 |
| Synonyms: | Pentane,1,1'-thiobis- (9CI);Pentyl sulfide (6CI,7CI,8CI);6-Thiaundecane;Amylsulfide;Di-n-pentyl sulfide;Diamyl sulfide;Dipentyl sulfide; |
| EINECS: | 212-820-8 |
| Density: | 0.839 g/cm3 |
| Melting Point: | -51°C |
| Boiling Point: | 228.9 °C at 760 mmHg |
| Flash Point: | 97.3 °C |
| Solubility: | Slightly soluble in water. |
| Hazard Symbols: | R36/38:Irritating to eyes and skin.; |
| Risk Codes: | 36/38 |
| Safety: | 26-36 |
| PSA: | 25.30000 |
| LogP: | 4.10000 |
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Specification
The Pentane,1-(pentylthio)-, with CAS registry number 872-10-6, has the systematic name of 1-(pentylsulfanyl)pentane. This chemical is a kind of yellow colored liquid with an obnoxious odor. And the chemical formula of this chemical is C10H22S. What's more, its EINECS is 212-820-8.
Physical properties of Pentane,1-(pentylthio)-: (1)ACD/LogP: 5.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.14; (4)ACD/LogD (pH 7.4): 5.14; (5)ACD/BCF (pH 5.5): 4731.05; (6)ACD/BCF (pH 7.4): 4731.05; (7)ACD/KOC (pH 5.5): 14863.73; (8)ACD/KOC (pH 7.4): 14863.73; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 56.37 cm3; (15)Molar Volume: 207.5 cm3; (16)Polarizability: 22.34×10-24cm3; (17)Surface Tension: 28.7 dyne/cm; (18)Density: 0.839 g/cm3; (19)Flash Point: 97.3 °C; (20)Enthalpy of Vaporization: 44.66 kJ/mol; (21)Boiling Point: 228.9 °C at 760 mmHg; (22)Vapour Pressure: 0.108 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-bromo-pentane. This reaction will need reagents ethanol, Na2S.
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Uses of Pentane,1-(pentylthio)-: it can be used to produce dipentyl sulfoxide. This reaction will need reagent HNO3.
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When you are using this chemical, please be cautious about it as the following:
The Pentane,1-(pentylthio)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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(CCCCC)CCCCC
(2)InChI: InChI=1/C10H22S/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3
(3)InChIKey: JOZDADPMWLVEJK-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H22S/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3
(5)Std. InChIKey: JOZDADPMWLVEJK-UHFFFAOYSA-N