Chemical Properties of 2-methyl-3-thiophenethiol (CAS 2527-76-6)

InChI

InChI=1S/C5H6S2/c1-4-5(6)2-3-7-4/h2-3,6H,1H3

InChI Key

AQXLMAYNBMTBHD-UHFFFAOYSA-N

Formula

C5H6S2

SMILES

Cc1sccc1S

Molecular Weight¹

130.23

CAS

2527-76-6

Other Names

• 2-methyl-3-thiophenthiol
• Thiophen-3-thiol, 2-methyl
• 3-Thiophenthiol, 2-methyl
• 3-Thiophenethiol, 2-methyl-
• 2-Methyl-thiopene-3-thiol
• 2-Methylthiophen-3-thiol
• 2-methylthiophene-3-thiol

• 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	-2.22		Crippen Calculated Property
logPoct/wat	2.345		Crippen Calculated Property
McVol	94.550	ml/mol	McGowan Calculated Property
Inp	[1030.00; 1070.00]
Inp	1070.00		NIST
Inp	1066.00		NIST
Inp	1066.00		NIST
Inp	1060.00		NIST
Inp	1065.00		NIST
Inp	1030.00		NIST
Inp	1034.00		NIST
Inp	1034.00		NIST
Inp	1059.00		NIST
Inp	1059.00		NIST
Inp	1058.00		NIST
Inp	1030.00		NIST
Inp	1030.00		NIST
Inp	1030.00		NIST
Inp	1066.00		NIST
Inp	1034.00		NIST
Inp	1034.00		NIST
Inp	1066.00		NIST
Inp	1030.00		NIST
Inp	1070.00		NIST
I	[1559.00; 1584.00]
I	1559.00		NIST
I	1580.00		NIST
I	1559.00		NIST
I	1559.00		NIST
I	1584.00		NIST

Similar Compounds

Find more compounds similar to 2-methyl-3-thiophenethiol.

Sources

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

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