4-Methoxythioanisole supplier

Name
1-METHOXY-4-(METHYLTHIO)BENZENE
EINECS
CAS No. 1879-16-9
Article Data115
CAS DataBase
Density 1.08 g/cm³
Solubility
Melting Point 22-23 °C
Formula C₈H₁₀OS
Boiling Point 253.366 °C at 760 mmHg
Molecular Weight 154.233
Flash Point 97.238 °C
Transport Information UN 3335
Appearance colorless to yellow liquid after melting
Safety 26
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xn
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;
PSA 34.53000
LogP 2.41710

4-Methoxythioanisole Specification

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

Product Name

1-METHOXY-4-(METHYLTHIO)BENZENE

4-Methoxythioanisole Specification

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