Chemical Properties of O-Isopropyl S-2-dimethylaminoethyl ethylphosphonothiolate (CAS 162085-92-9)

InChI

InChI=1S/C9H22NO2PS/c1-6-13(11,12-9(2)3)14-8-7-10(4)5/h9H,6-8H2,1-5H3

InChI Key

BIMXZYDFIXDYDT-UHFFFAOYSA-N

Formula

C9H22NO2PS

SMILES

CCP(=O)(OC(C)C)SCCN(C)C

Molecular Weight¹

239.31

CAS

162085-92-9

Other Names

• Ethyl-phosphonothioic acid S-(2-dimethylamino-ethyl) ester O-isopropyl ester

• 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	-3.52		Crippen Calculated Property
logPoct/wat	2.919		Crippen Calculated Property
McVol	196.200	ml/mol	McGowan Calculated Property
Inp	[1532.00; 1532.40]
Inp	1532.00		NIST
Inp	1532.40		NIST
Inp	1532.00		NIST
Inp	1532.00		NIST

Similar Compounds

Find more compounds similar to O-Isopropyl S-2-dimethylaminoethyl ethylphosphonothiolate.

Sources

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

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