1,4-Naphthalenedione,2,3-bis(methylthio)- supplier

Name
2,3-BIS(METHYLTHIO)-1,4-NAPHTHALENEDIONE
EINECS
CAS No. 55699-85-9
Density 1.35 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₀O₂S₂
Boiling Point 369.4 °C at 760 mmHg
Molecular Weight 250.342
Flash Point 160.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1,4-Naphthoquinone,2,3-bis(methylthio)- (6CI,7CI);2,3-Di(methylthio)-1,4-naphthoquinone;NSC523486;2,3-Bis(methylsulfanyl)naphthalene-1,4-dione;
PSA 84.74000
LogP 3.00320

1,4-Naphthalenedione,2,3-bis(methylthio)- Specification

The 1,4-Naphthalenedione,2,3-bis(methylthio)-, with the CAS registry number 55699-85-9, is also known as 2,3-Di(methylthio)-1,4-naphthoquinone. This chemical's molecular formula is C₁₂H₁₀O₂S₂ and molecular weight is 250.34. What's more, its systematic name is 2,3-bis(methylsulfanyl)naphthalene-1,4-dione.

Physical properties of 1,4-Naphthalenedione,2,3-bis(methylthio)- are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 84.74 Å²; (7)Index of Refraction: 1.66; (8)Molar Refractivity: 68.19 cm³; (9)Molar Volume: 184.7 cm³; (10)Polarizability: 27.03×10^-24cm³; (11)Surface Tension: 57.2 dyne/cm; (12)Density: 1.35 g/cm³; (13)Flash Point: 160.1 °C; (14)Enthalpy of Vaporization: 61.62 kJ/mol; (15)Boiling Point: 369.4 °C at 760 mmHg; (16)Vapour Pressure: 1.19E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CSC1=C(C(=O)C2=CC=CC=C2C1=O)SC
(2)InChI: InChI=1S/C12H10O2S2/c1-15-11-9(13)7-5-3-4-6-8(7)10(14)12(11)16-2/h3-6H,1-2H3
(3)InChIKey: YNEAIJHYQCGCSC-UHFFFAOYSA-N

Product Name

2,3-BIS(METHYLTHIO)-1,4-NAPHTHALENEDIONE

1,4-Naphthalenedione,2,3-bis(methylthio)- Specification

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