Chemical Properties of Benzo[b]thiophene, 2-methyl- (CAS 1195-14-8)

InChI

InChI=1S/C9H8S/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3

InChI Key

BLZKSRBAQDZAIX-UHFFFAOYSA-N

Formula

C9H8S

SMILES

Cc1cc2ccccc2s1

Molecular Weight¹

148.22

CAS

1195-14-8

Other Names

• 2-Methyl-1-thiaindene
• 2-Methylbenzothiophene
• 2-Methylbenzo(b)thiophene
• 2-Methylthianaphthene
• 2-Methylthioindene
• Benzothiophene, 2-methyl

• 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
log10WS	-3.51		Crippen Calculated Property
logPoct/wat	3.210		Crippen Calculated Property
McVol	115.100	ml/mol	McGowan Calculated Property
Inp	[213.78; 221.00]
Inp	220.45		NIST
Inp	221.00		NIST
Inp	220.76		NIST
Inp	218.74		NIST
Inp	213.78		NIST

Similar Compounds

Find more compounds similar to Benzo[b]thiophene, 2-methyl-.

Sources

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

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