Chemical Properties of Thiophene, 2-(methylthio)- (CAS 5780-36-9)

InChI

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

InChI Key

ZLSMPEVZXWDWEK-UHFFFAOYSA-N

Formula

C5H6S2

SMILES

CSc1cccs1

Molecular Weight¹

130.23

CAS

5780-36-9

Other Names

• 2-(Methylthio)thiophene
• 2-(Methylsulfanyl)thiophene

• IE : Ionization energy (eV).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	[8.10; 8.63]	eV
IE	8.10 ± 0.05	eV	NIST
IE	8.63 ± 0.05	eV	NIST
log10WS	-1.97		Crippen Calculated Property
logPoct/wat	2.470		Crippen Calculated Property
McVol	94.550	ml/mol	McGowan Calculated Property
Inp	[1014.00; 1045.00]
Inp	1036.00		NIST
Inp	1040.00		NIST
Inp	1045.00		NIST
Inp	1035.00		NIST
Inp	1014.00		NIST
Inp	1014.00		NIST
Inp	1019.00		NIST
Inp	1020.00		NIST
Inp	1035.00		NIST

Similar Compounds

Find more compounds similar to Thiophene, 2-(methylthio)-.

Sources

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

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