Benzene,1-methoxy-3-(phenylthio)- supplier

Name
1-METHOXY-3-PHENYLSULFANYL-BENZENE
EINECS
CAS No. 30723-54-7
Article Data52
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₂OS
Boiling Point 345.1 °C at 760 mmHg
Molecular Weight 216.304
Flash Point 162.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Anisole,m-(phenylthio)- (6CI,7CI);Phenyl 3-methoxyphenyl sulfide;m-Methoxyphenylphenyl sulfide;
PSA 34.53000
LogP 3.84640

Benzene,1-methoxy-3-(phenylthio)- Specification

The Benzene, 1-methoxy-3-(phenylthio)-, with the CAS registry number 30723-54-7, is also known as Methyl 3-(phenylsulfanyl)phenyl ether. This chemical's molecular formula is C₁₃H₁₂OS and molecular weight is 216.29878. What's more, its IUPAC name is 1-Methoxy-3-phenylsulfanylbenzene.

Physical properties about Benzene, 1-methoxy-3-(phenylthio)- are: (1)ACD/LogP: 4.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.47; (4)ACD/LogD (pH 7.4): 4.47; (5)ACD/BCF (pH 5.5): 1457.74; (6)ACD/BCF (pH 7.4): 1457.74; (7)ACD/KOC (pH 5.5): 6399.7; (8)ACD/KOC (pH 7.4): 6399.7; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.53 Å²; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 65.83 cm³; (15)Molar Volume: 186.7 cm³; (16)Polarizability: 26.1×10^-24 cm³; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.15 g/cm³; (19)Flash Point: 162.5 °C; (20)Enthalpy of Vaporization: 56.58 kJ/mol; (21)Boiling Point: 345.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000126 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S(c1ccccc1)c2cc(OC)ccc2
(2) InChI: InChI=1/C13H12OS/c1-14-11-6-5-9-13(10-11)15-12-7-3-2-4-8-12/h2-10H,1H3
(3) InChIKey: WILHOCDBZCXLPC-UHFFFAOYAB

Product Name

1-METHOXY-3-PHENYLSULFANYL-BENZENE

Benzene,1-methoxy-3-(phenylthio)- Specification

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