Chemical Properties of 4-Methyl-5-ethylthiazole (CAS 31883-01-9)

InChI

InChI=1S/C6H9NS/c1-3-6-5(2)7-4-8-6/h4H,3H2,1-2H3

InChI Key

XPQULTFBJPGINB-UHFFFAOYSA-N

Formula

C6H9NS

SMILES

CCc1scnc1C

Molecular Weight¹

127.21

CAS

31883-01-9

Other Names

• 5-Ethyl-4-methylthiazole
• Thiazole, 5-ethyl-4-methyl-
• 5-Ethyl-4-methyl-1,3-thiazole
• Thiazole, 4-methyl-5-ethyl

• 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.
• I : Polar retention indices.
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.27		Crippen Calculated Property
logPoct/wat	2.014		Crippen Calculated Property
McVol	102.270	ml/mol	McGowan Calculated Property
Inp	[986.00; 1039.00]
Inp	1004.00		NIST
Inp	988.00		NIST
Inp	991.00		NIST
Inp	989.00		NIST
Inp	Outlier 1039.00		NIST
Inp	1023.00		NIST
Inp	988.00		NIST
Inp	991.00		NIST
Inp	986.00		NIST
I	[1440.00; 1467.00]
I	1467.00		NIST
I	1467.00		NIST
I	1467.00		NIST
I	1440.00		NIST
I	1446.00		NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[351.70; 443.20]	K	[3.30; 99.30]
Tboilr	351.70	K	3.30	NIST
Tboilr	443.20	K	99.30	NIST

Similar Compounds

Find more compounds similar to 4-Methyl-5-ethylthiazole.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.