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| CAS No.: | 55021-77-7 |
|---|---|
| Name: | 4-(Methylthio)-1-butylamine |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C5H13NS |
| Molecular Weight: | 119.231 |
| Synonyms: | 1-Butanamine, 4-(methylthio)-; |
| EINECS: | 604-604-1 |
| Density: | 0.926 g/cm3 |
| Boiling Point: | 182.5 °C at 760 mmHg |
| Flash Point: | 64.2 °C |
| PSA: | 51.32000 |
| LogP: | 1.78860 |
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- 59121-24-3
4-(methylthio)butyronitrile
- 55021-77-7
4-(methylthio)-1-butylamine
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In diethyl ether for 0.5h; Reflux; | 93% |
| With borane In tetrahydrofuran at 20℃; | 63% |
| With ethanol; sodium |
- 52096-68-1
2-<2-(Methylthio)butyl>-1H-isoindole-1,3(2H)-dione
- 55021-77-7
4-(methylthio)-1-butylamine
| Conditions | Yield |
|---|---|
| With hydrazine hydrate In ethanol for 5h; Reflux; | 83.2% |
| With hydrazine In ethanol for 3h; Heating / reflux; | 80% |
| With hydrazine hydrate In ethanol for 3h; Reflux; | 80% |
- 57775-01-6
1-azido-(4-methylsulfenyl)butane
- 55021-77-7
4-(methylthio)-1-butylamine
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride | 54% |
- 27160-24-3
ω-chloro-1-methylsulfanylbutane
- 55021-77-7
4-(methylthio)-1-butylamine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: tetrabutylammomium bromide / toluene / 18 h / 0 - 20 °C 2: hydrazine hydrate / ethanol / 5 h / Reflux View Scheme |
- 55021-77-7
4-(methylthio)-1-butylamine
- 84104-30-3
(+/-)-1-amino-4-(methylsulfinyl)butane
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide In 2,2,2-trifluoroethanol at 0 - 20℃; for 1.33333h; Inert atmosphere; | 90% |
| With sulfuric acid; dihydrogen peroxide; isopropyl alcohol In methanol at 20℃; for 2h; | 64% |
| With sulfuric acid; dihydrogen peroxide In methanol; water; isopropyl alcohol at 20℃; for 3h; | 63% |
| With dihydrogen peroxide; acetone |
| Conditions | Yield |
|---|---|
| In dichloromethane for 2h; Reflux; | 89% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In dichloromethane at 0 - 20℃; for 3h; | 86.5% |
| With sodium hydroxide In dichloromethane at 0 - 20℃; for 3.5h; | 84% |
| With sodium hydroxide In dichloromethane at 0 - 20℃; for 3.5h; Inert atmosphere; | 84% |
- 55021-77-7
4-(methylthio)-1-butylamine
- 552838-69-4
4-methanesulfonyl-butylamine
| Conditions | Yield |
|---|---|
| With potassium permanganate |
- 55021-77-7
4-(methylthio)-1-butylamine
- 103-72-0
phenyl isothiocyanate
- 100317-76-8
1-benzyl-3-(4-(methylthio)butyl)thiourea
- Total:10 Page 1 of 1 1
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Specification
The IUPAC name of this chemical is 4-(Methylthio)-1-butylamine. With the CAS registry number 55021-77-7, it is also named as 1-Butanamine,4-(methylthio)-. In addition, the molecular formula is C5H13NS and the molecular weight is 119.2284. It is a kind of pale yellow oil and belongs to the classes of Chemical Amines; Aliphatics; Amine.
Physical properties about 4-(Methylthio)-1-butylamine are: (1)ACD/LogP: 0.79 ; (2)ACD/LogD (pH 5.5): -2.3; (3)ACD/LogD (pH 7.4): -1.89; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 28.54 Å2; (12)Index of Refraction: 1.482; (13)Molar Refractivity: 36.74 cm3; (14)Molar Volume: 128.7 cm3; (15)Polarizability: 14.56 ×10-24cm3; (16)Surface Tension: 33.9 dyne/cm; (17)Density: 0.926 g/cm3; (18)Flash Point: 64.2 °C; (19)Enthalpy of Vaporization: 41.87 kJ/mol; (20)Boiling Point: 182.5 °C at 760 mmHg; (21)Vapour Pressure: 0.809 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S(CCCCN)C
(2)InChI: InChI=1/C5H13NS/c1-7-5-3-2-4-6/h2-6H2,1H3
(3)InChIKey: DFOFJJHACXCMCO-UHFFFAOYAI