Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Methoxythioanisole |
EINECS | N/A |
CAS No. | 1879-16-9 | Density | 1.08 g/cm3 |
PSA | 34.53000 | LogP | 2.41710 |
Solubility | N/A | 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; |
Article Data | 115 |
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