Chemical Properties of Cythioate (CAS 115-93-5)

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

CAS

115-93-5

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	1.86		Crippen 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

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Cythioate.

Sources

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

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