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7464-04-2

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Basic Information
CAS No.: 7464-04-2
Name: O-(3-methylphenyl) O-(4-methylphenyl) hydrogen phosphorodithioate
Molecular Structure:
Molecular Structure of 7464-04-2 (O-(3-methylphenyl) O-(4-methylphenyl) hydrogen phosphorodithioate)
Formula: C14H15O2PS2
Molecular Weight: 310.37
Synonyms: NSC 403340;O-(3-methylphenyl) O-(4-methylphenyl) hydrogen phosphorodithioate;
Density: 1.272 g/cm3
Boiling Point: 400.5 °C at 760 mmHg
Flash Point: 196 °C
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Specification

The Phosphorodithioic acid,o-m-tolyl o-p-tolyl ester, copper(2+) salt (8CI) has the CAS registry number 7464-04-2. This chemical's molecular formula is C14H15O2PS2 and molecular weight is 310.37. What's more, its systematic name is O-(3-methylphenyl) O-(4-methylphenyl) hydrogen phosphorodithioate.

Physical properties of Phosphorodithioic acid,o-m-tolyl o-p-tolyl ester, copper(2+) salt (8CI) are: (1)ACD/LogP: 5.08; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 85.66 Å2; (7)Index of Refraction: 1.624; (8)Molar Refractivity: 86.22 cm3; (9)Molar Volume: 243.9 cm3; (10)Polarizability: 34.18×10-24 cm3; (11)Surface Tension: 52.5 dyne/cm; (12)Density: 1.272 g/cm3; (13)Flash Point: 196 °C; (14)Enthalpy of Vaporization: 62.6 kJ/mol; (15)Boiling Point: 400.5 °C at 760 mmHg; (16)Vapour Pressure: 2.92E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: S=P(S)(Oc1cc(ccc1)C)Oc2ccc(cc2)C
(2)InChI: InChI=1/C14H15O2PS2/c1-11-6-8-13(9-7-11)15-17(18,19)16-14-5-3-4-12(2)10-14/h3-10H,1-2H3,(H,18,19)
(3)InChIKey: SKSFDUZBONIYAG-UHFFFAOYAK