Chemical Properties of 1-Methyldibenzothiophene (CAS 31317-07-4)

InChI

InChI=1S/C13H10S/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-8H,1H3

InChI Key

HORCQSAKJDDBKB-UHFFFAOYSA-N

Formula

C13H10S

SMILES

Cc1cccc2sc3ccccc3c12

Molecular Weight¹

198.28

CAS

31317-07-4

Other Names

• Dibenzo[b]thiophene, 1-methyl
• Dibenzothiophene, 1-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	-5.31		Crippen Calculated Property
logPoct/wat	4.363		Crippen Calculated Property
McVol	152.000	ml/mol	McGowan Calculated Property
Inp	[310.67; 320.00]
Inp	319.35		NIST
Inp	319.22		NIST
Inp	319.30		NIST
Inp	320.00		NIST
Inp	319.60		NIST
Inp	319.35		NIST
Inp	318.68		NIST
Inp	318.65		NIST
Inp	Outlier 310.67		NIST
Inp	319.22		NIST
Inp	319.75		NIST
Inp	318.80		NIST
Inp	319.30		NIST
Inp	319.60		NIST
Inp	319.30		NIST
Inp	319.69		NIST
Inp	320.00		NIST
Inp	317.10		NIST
Inp	320.00		NIST
Inp	318.22		NIST
Inp	319.20		NIST
Inp	319.60		NIST

Similar Compounds

Find more compounds similar to 1-Methyldibenzothiophene.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.