Chemical Properties of 2-Furanmethanethiol, 5-methyl- (CAS 59303-05-8)

InChI

InChI=1S/C6H8OS/c1-5-2-3-6(4-8)7-5/h2-3,8H,4H2,1H3

InChI Key

MGLMZOFGBDYNMH-UHFFFAOYSA-N

Formula

C6H8OS

SMILES

Cc1ccc(CS)o1

Molecular Weight¹

128.19

CAS

59303-05-8

Other Names

• (5-Methyl-2-furyl)methanethiol
• 2-Methyl-5-thiomethylfuran
• 5-Methyl-2-furfurylmercaptan
• 5-Methyl-2-furfurylthiol
• 5-Methylfurfuryl mercaptan

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-6.63		Crippen Calculated Property
logPoct/wat	2.018		Crippen Calculated Property
McVol	98.160	ml/mol	McGowan Calculated Property
Inp	[993.00; 1016.00]
Inp	995.00		NIST
Inp	995.00		NIST
Inp	993.00		NIST
Inp	995.00		NIST
Inp	Outlier 1016.00		NIST
Inp	995.00		NIST
Inp	993.00		NIST
I	[1473.00; 1505.00]
I	1497.00		NIST
I	1505.00		NIST
I	1500.00		NIST
I	1497.00		NIST
I	Outlier 1473.00		NIST
I	1500.00		NIST
I	1497.00		NIST
I	1500.00		NIST

Similar Compounds

Find more compounds similar to 2-Furanmethanethiol, 5-methyl-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.