Benzene,2,5-dimethoxy-1-[(4-methylphenyl)thio]-3-nitro- supplier

Name
1,4-dimethoxy-6-nitro-2-(p-tolylthio)benzene
EINECS 259-441-4
CAS No. 55034-13-4
Density 1.29 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₅NO₄S
Boiling Point 462.1 °C at 760 mmHg
Molecular Weight 305.35
Flash Point 233.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,5-Dimethoxy-3-(4-methylphenylthio)nitrobenzene;1,4-Dimethoxy-6-nitro-2-(p-tolylthio)benzene;
PSA 89.58000
LogP 4.59480

Benzene,2,5-dimethoxy-1-[(4-methylphenyl)thio]-3-nitro- Specification

The Benzene,2,5-dimethoxy-1-[(4-methylphenyl)thio]-3-nitro-, with the CAS registry number 3469-20-3, is also known as 1,4-Dimethoxy-6-nitro-2-(p-tolylthio)benzene. Its EINECS number is 259-441-4. This chemical's molecular formula is C₁₅H₁₅NO₄S and molecular weight is 305.35. What's more, its systematic name is 2,5-Dimethoxy-1-[(4-methylphenyl)sulfanyl]-3-nitrobenzene.

Physical properties of Benzene,2,5-dimethoxy-1-[(4-methylphenyl)thio]-3-nitro- are: (1)ACD/LogP: 4.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.79; (4)ACD/LogD (pH 7.4): 4.79; (5)ACD/BCF (pH 5.5): 2560.07; (6)ACD/BCF (pH 7.4): 2560.07; (7)ACD/KOC (pH 5.5): 9576.85; (8)ACD/KOC (pH 7.4): 9576.85; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 89.58 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 82.86 cm³; (15)Molar Volume: 236.1 cm³; (16)Polarizability: 32.84×10^-24cm³; (17)Surface Tension: 54.7 dyne/cm; (18)Density: 1.29 g/cm³; (19)Flash Point: 233.3 °C; (20)Enthalpy of Vaporization: 69.53 kJ/mol; (21)Boiling Point: 462.1 °C at 760 mmHg; (22)Vapour Pressure: 2.8E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)SC2=C(C(=CC(=C2)OC)[N+](=O)[O-])OC
(2)InChI: InChI=1S/C15H15NO4S/c1-10-4-6-12(7-5-10)21-14-9-11(19-2)8-13(16(17)18)15(14)20-3/h4-9H,1-3H3
(3)InChIKey: ZLKCKSPGDUFNEI-UHFFFAOYSA-N

Product Name

1,4-dimethoxy-6-nitro-2-(p-tolylthio)benzene

Benzene,2,5-dimethoxy-1-[(4-methylphenyl)thio]-3-nitro- Specification

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