Chemical Properties of Naphtho[2,1-b]thiophene (CAS 233-02-3)

InChI

InChI=1S/C12H8S/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12/h1-8H

InChI Key

LJOLGGXHRVADAA-UHFFFAOYSA-N

Formula

C12H8S

SMILES

c1ccc2c(c1)ccc1sccc12

Molecular Weight¹

184.26

CAS

233-02-3

Other Names

• Naphtho[2.1-b]thiophene

• 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	-4.84		Crippen Calculated Property
logPoct/wat	4.054		Crippen Calculated Property
McVol	137.910	ml/mol	McGowan Calculated Property
Inp	[299.03; 300.31]
Inp	300.00		NIST
Inp	300.31		NIST
Inp	300.00		NIST
Inp	300.00		NIST
Inp	Outlier 299.03		NIST
Inp	299.79		NIST
Inp	300.00		NIST
Inp	299.41		NIST

Similar Compounds

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

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.