Chemical Properties of Pyreno[1,2-b]thiophene (CAS 189-83-3)

InChI

InChI=1S/C18H10S/c1-2-11-4-5-13-10-14-8-9-19-18(14)15-7-6-12(3-1)16(11)17(13)15/h1-10H

InChI Key

KCKFFTQULGAQPQ-UHFFFAOYSA-N

Formula

C18H10S

SMILES

c1cc2ccc3cc4ccsc4c4ccc(c1)c2c34

Molecular Weight¹

258.34

CAS

189-83-3

• 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	-7.86		Crippen Calculated Property
logPoct/wat	5.799		Crippen Calculated Property
McVol	187.830	ml/mol	McGowan Calculated Property
Inp	[440.70; 450.00]
Inp	450.00		NIST
Inp	449.56		NIST
Inp	449.30		NIST
Inp	441.30		NIST
Inp	440.70		NIST
Inp	441.10		NIST
Inp	441.30		NIST
Inp	441.30		NIST
Inp	450.00		NIST

Similar Compounds

Find more compounds similar to Pyreno[1,2-b]thiophene.

Sources

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

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