Chemical Properties of Thiophene, 3,5-dimethyl-2-(methylthio)- (CAS 69442-33-7)

InChI

InChI=1S/C7H10S2/c1-5-4-6(2)9-7(5)8-3/h4H,1-3H3

InChI Key

NCWOSJBAFGDYEH-UHFFFAOYSA-N

Formula

C7H10S2

SMILES

CSc1sc(C)cc1C

Molecular Weight¹

158.28

CAS

69442-33-7

Other Names

• 3,5-Dimethyl-2-(methylthio)thiophene

• 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
logPoct/wat	3.087		Crippen Calculated Property
McVol	122.730	ml/mol	McGowan Calculated Property
Inp	[1230.00; 1259.20]
Inp	1259.20		NIST
Inp	1230.00		NIST
Inp	1230.00		NIST
Inp	1259.20		NIST

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Similar Compounds

Find more compounds similar to Thiophene, 3,5-dimethyl-2-(methylthio)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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