Chemical Properties of Methyl trithion (CAS 953-17-3)

InChI

InChI=1S/C9H12ClO2PS3/c1-11-13(14,12-2)16-7-15-9-5-3-8(10)4-6-9/h3-6H,7H2,1-2H3

InChI Key

OUCCVXVYGFBXSV-UHFFFAOYSA-N

Formula

C9H12ClO2PS3

SMILES

COP(=S)(OC)SCSc1ccc(Cl)cc1

Molecular Weight¹

314.81

CAS

953-17-3

Other Names

• Phosphorodithioic acid, S-[[(4-chlorophenyl)thio]methyl] O,O-dimethyl ester
• Phosphorodithioic acid, S-[[(p-chlorophenyl)thio]methyl] O,O-dimethyl ester
• Methyl carbophenothion
• Carbophenothion methyl
• S-[[(p-Chlorophenyl)thio]methyl] O,O-dimethyl phosphorodithioate
• Stauffer R 1492
• Dimethyl (((p-chlorophenyl)thio)methyl) dithiophosphate
• ENT 25,599
• Geigy g-29288
• Methanethiol, ((p-chlorophenyl)thio)-, S-ester with O,O-dimethyl phosphorodithioate
• O,O-Dimethyl-S-(((p-chlorophenyl)thio)methyl)phosphorodithioate
• O,O-Dimethylthiophosphoric acid p-chlorophenyl ester
• R-1492
• Tri-Me
• S-(((4-Chlorophenyl)thio)methyl) O,O-dimethylphosphorodithioate
• ENT 25586
• G-29288
• NSC 231692
• Trithion-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.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-0.54		Crippen Calculated Property
logPoct/wat	4.640		Crippen Calculated Property
McVol	207.400	ml/mol	McGowan Calculated Property
Inp	[2187.00; 2247.00]
Inp	2187.00		NIST
Inp	2247.00		NIST
I	[3045.00; 3045.00]
I	3045.00		NIST
I	3045.00		NIST

Similar Compounds

Find more compounds similar to Methyl trithion.

Sources

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

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