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CAS No.: | 1879-16-9 |
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Name: | 1-METHOXY-4-(METHYLTHIO)BENZENE |
Article Data: | 115 |
Molecular Structure: | |
Formula: | C8H10OS |
Molecular Weight: | 154.233 |
Synonyms: | Anisole,p-(methylthio)- (6CI,7CI,8CI);1-Methoxy-4-(methylsulfanyl)benzene;1-Methoxy-4-(methylthio)benzene;4-(Methylthio)-1-methoxybenzene;4-(Methylthio)anisole;4-Methoxyphenyl methyl sulfide;Methyl 4-methoxyphenyl sulfide;Methyl p-anisyl sulfide;Methyl p-methoxyphenylsulfide;NSC 124839;p-(Methylthio)anisole;p-Anisyl methyl sulfide;p-Methoxyphenyl methyl sulfide;p-Methoxythioanisole; |
Density: | 1.08 g/cm3 |
Melting Point: | 22-23 °C |
Boiling Point: | 253.366 °C at 760 mmHg |
Flash Point: | 97.238 °C |
Appearance: | colorless to yellow liquid after melting |
Hazard Symbols: | Xn |
Risk Codes: | 36/37/38-22 |
Safety: | 26 |
Transport Information: | UN 3335 |
PSA: | 34.53000 |
LogP: | 2.41710 |
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The 4-Methoxythioanisole with the cas number 1879-16-9 is also called Benzene,1-methoxy-4-(methylthio)-. The IUPAC name is 1-methoxy-4-methylsulfanylbenzene. Its molecular formula is C8H10OS. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 129.7; (6)ACD/BCF (pH 7.4): 129.7; (7)ACD/KOC (pH 5.5): 1132.52; (8)ACD/KOC (pH 7.4): 1132.52; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.53 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 45.75 cm3; (15)Molar Volume: 142.7 cm3; (16)Polarizability: 18.13×10-24cm3; (17)Surface Tension: 38 dyne/cm ; (18)Enthalpy of Vaporization: 47.09 kJ/mol ; (19)Vapour Pressure: 0.0293 mmHg at 25°C.
Uses: This chemical can prepare 1-methanesulfonyl-4-methoxy-benzene. This reaction needs reagent m-chloroperbenzoic acid.
When you are using this chemical, please be cautious about it as the following: (1)Harmful if swallowed; (2)Irritating to eyes, respiratory system and skin; (3) 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: O(c1ccc(SC)cc1)C
(2)InChI: InChI=1/C8H10OS/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
(3)InChIKey: DQNSKXYRRRCKGH-UHFFFAOYAQ