Chemical Properties of Thiophene, 3-phenyl- (CAS 2404-87-7)

InChI

InChI=1S/C10H8S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8H

InChI Key

ZDQZVKVIYAPRON-UHFFFAOYSA-N

Formula

C10H8S

SMILES

c1ccc(-c2ccsc2)cc1

Molecular Weight¹

160.24

CAS

2404-87-7

Other Names

• 3-Phenylthiophene

• 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	-3.83		Crippen Calculated Property
logPoct/wat	3.415		Crippen Calculated Property
McVol	124.890	ml/mol	McGowan Calculated Property
Inp	[1376.00; 1387.00]
Inp	1376.00		NIST
Inp	1379.00		NIST
Inp	Outlier 1387.00		NIST
Inp	1377.00		NIST
Inp	1377.00		NIST
Inp	1377.00		NIST
I	[2090.00; 2140.00]
I	2107.00		NIST
I	2124.00		NIST
I	2140.00		NIST
I	2090.00		NIST
I	2090.00		NIST

Similar Compounds

Find more compounds similar to Thiophene, 3-phenyl-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.