Basic Information | Post buying leads | Suppliers |
Name |
Benzene,2,5-dimethoxy-1-[(4-methylphenyl)thio]-3-nitro- |
EINECS | 259-441-4 |
CAS No. | 55034-13-4 | Density | 1.29 g/cm3 |
PSA | 89.58000 | LogP | 4.59480 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H15NO4S | Boiling Point | 462.1 °C at 760 mmHg |
Molecular Weight | 305.35 | Flash Point | 233.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,5-Dimethoxy-3-(4-methylphenylthio)nitrobenzene;1,4-Dimethoxy-6-nitro-2-(p-tolylthio)benzene; |
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: 32.84×10-24 cm3; (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