Naphthalene,2,7-dimethoxy-3,6-bis(methylthio)- supplier

Name
2,7-DIMETHOXY-3,6-BIS(METHYLTHIO)-NAPHTHALENE
EINECS
CAS No. 105404-97-5
Density 1.22 g/cm³
Solubility
Melting Point 198-200 °C
Formula C₁₄H₁₆O₂S₂
Boiling Point 431.4 °C at 760 mmHg
Molecular Weight 280.41
Flash Point 214.7 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 2,7-Dimethoxy-3,6-bis(methylthio)naphthalene;
PSA 69.06000
LogP 4.30080

Naphthalene,2,7-dimethoxy-3,6-bis(methylthio)- Specification

This chemical is called Naphthalene,2,7-dimethoxy-3,6-bis(methylthio)-, and its systematic name is 2,7-Dimethoxy-3,6-bis(methylsulfanyl)naphthalene. With the molecular formula of C₁₄H₁₆O₂S₂, its molecular weight is 280.41. The CAS registry number of this chemical is 105404-97-5.

Other characteristics of Naphthalene,2,7-dimethoxy-3,6-bis(methylthio)- can be summarised as followings: (1)ACD/LogP: 4.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.17; (4)ACD/LogD (pH 7.4): 4.17; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 69.06 Å²; (9)Index of Refraction: 1.638; (10)Molar Refractivity: 82.31 cm³; (11)Molar Volume: 228.8 cm³; (12)Polarizability: 32.63×10^-24cm³; (13)Surface Tension: 50.1 dyne/cm; (14)Density: 1.22 g/cm³; (15)Flash Point: 214.7 °C; (16)Enthalpy of Vaporization: 66.05 kJ/mol; (17)Boiling Point: 431.4 °C at 760 mmHg; (18)Vapour Pressure: 3.03E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CSc1cc2cc(SC)c(cc2cc1OC)OC
2.InChI: InChI=1/C14H16O2S2/c1-15-11-5-9-6-12(16-2)14(18-4)8-10(9)7-13(11)17-3/h5-8H,1-4H3
3.InChIKey: VXGJSCXYIULKCC-UHFFFAOYAI
4.Std. InChI: InChI=1S/C14H16O2S2/c1-15-11-5-9-6-12(16-2)14(18-4)8-10(9)7-13(11)17-3/h5-8H,1-4H3
5.Std. InChIKey: VXGJSCXYIULKCC-UHFFFAOYSA-N

Product Name

2,7-DIMETHOXY-3,6-BIS(METHYLTHIO)-NAPHTHALENE

Naphthalene,2,7-dimethoxy-3,6-bis(methylthio)- Specification

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