Chemical Properties of Quinomethionate (CAS 2439-01-2)

InChI

InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3

InChI Key

FBQQHUGEACOBDN-UHFFFAOYSA-N

Formula

C8H6N2OS2

SMILES

Cc1ccc2nc3sc(=O)sc3nc2c1

Molecular Weight¹

210.28

CAS

2439-01-2

Other Names

• 1,3-Dithiolo[4,5-b]quinoxalin-2-one, 6-methyl-
• Carbonic acid, dithio-, cyclic S,S-(6-methyl-2,3-quinoxalinediyl) ester
• Bayer 4964
• BAY 36205
• Chinomethionat
• Forstan
• Morestan
• Morestane
• MQD
• Oxythioquinox
• 6-Methyl-1,3-Dithiolo[4,5-b]quinoxalin-2-one
• 6-Methyl-2,3-quinoxalinedithiol cyclic carbonate
• 6-Methyl-2,3-quinoxalinedithiol cyclic dithiocarbonate
• Chinomethionate
• ENT 25606
• SS 2074
• Quinomethionat
• 6-Methyl-2,3-quinoxalinedithiol cyclic S,S-dithiocarbonate
• 6-Methyl-2-oxo-1,3-dithio[4,5-b]quinoxaline
• Bayer 36205
• Carbonic acid, dithio-, cyclic S,S-ester with 6-methyl-2,3-quinoxalinedithiol
• Cetactaelate
• Daisonet XL 21
• Morestan 2
• NSC 379587

• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-4.02		Crippen Calculated Property
logPoct/wat	2.575		Crippen Calculated Property
McVol	151.910	ml/mol	McGowan Calculated Property
Inp	[2047.00; 2115.00]
Inp	2047.00		NIST
Inp	2081.00		NIST
Inp	2060.00		NIST
Inp	2115.00		NIST
Inp	2060.00		NIST
Tfus	443.68 ± 0.20	K	NIST

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Quinomethionate.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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