Chemical Properties of 2-Methylthiazole (CAS 3581-87-1)

InChI

InChI=1S/C4H5NS/c1-4-5-2-3-6-4/h2-3H,1H3

InChI Key

VZWOXDYRBDIHMA-UHFFFAOYSA-N

Formula

C4H5NS

SMILES

Cc1nccs1

Molecular Weight¹

99.15

CAS

3581-87-1

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-1.47		Crippen Calculated Property
logPoct/wat	1.452		Crippen Calculated Property
McVol	74.090	ml/mol	McGowan Calculated Property
I	[1218.00; 1218.00]
I	1218.00		NIST
I	1218.00		NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[296.32; 427.39]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42228e+01
Coefficient B			-3.23985e+03
Coefficient C			-6.38240e+01
Temperature range, min.			296.32
Temperature range, max.			427.39
Pvap	1.33	kPa	296.32	Calculated Property
Pvap	3.03	kPa	310.88	Calculated Property
Pvap	6.29	kPa	325.45	Calculated Property
Pvap	12.09	kPa	340.01	Calculated Property
Pvap	21.75	kPa	354.57	Calculated Property
Pvap	37.01	kPa	369.14	Calculated Property
Pvap	60.00	kPa	383.70	Calculated Property
Pvap	93.26	kPa	398.26	Calculated Property
Pvap	139.72	kPa	412.83	Calculated Property
Pvap	202.66	kPa	427.39	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylthiazole.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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