Chemical Properties of Cythioate

InChI

InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)

InChI Key

BSBSDQUZDZXGFN-UHFFFAOYSA-N

Formula

C8H12NO5PS2

SMILES

COP(=S)(OC)Oc1ccc(S(N)(=O)=O)cc1

Molecular Weight¹

297.29

Other Names

• Phosphorothioic acid, O-[4-(aminosulfonyl)phenyl] O,O-dimethyl ester
• Phosphorothioic acid, O,O-dimethyl ester, O-ester with p-hydroxybenzenesulfonamide
• American Cyanamid CL-26,691
• Benzenesulfonamide, p-hydroxy-, O-ester with O,O-dimethyl phosphorothioate
• Cyflee
• CL 26691
• ENT 25,640
• O,O-Dimethyl O-p-Sulfamoylphenyl phosphorothioate
• Proban
• American CL-26,691
• AC 26,691
• American CL-26691
• O-(4-(Aminosulfonyl)phenyl) O,O-dimethyl phosphorothioate
• NSC 310287
• O,O-dimethyl O-(4-sulphamoylphenyl) thiophosphate
• O,O-dimethyl O-(4-aminosulfonylphenyl)phosphorodithioate

• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.16		Relay (1.0) Calculated Property
logPoct/wat	1.230		Crippen Calculated Property
McVol	192.310	ml/mol	McGowan Calculated Property
Tfus	[345.67; 347.00]	K
Tfus	345.67 ± 0.20	K	NIST
Tfus	347.00 ± 0.20	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Cythioate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.