Chemical Properties of Methidathion (CAS 950-37-8)

InChI

InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3

InChI Key

MEBQXILRKZHVCX-UHFFFAOYSA-N

Formula

SMILES

COc1nn(CSP(=S)(OC)OC)c(=O)s1

Molecular Weight¹

254.27

CAS

950-37-8

Other Names

Phosphorodithioic acid, S-[(5-methoxy-2-oxo-1,3,4-thiadiazol-3(2H)-yl)methyl] O,O-dimethyl ester
Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 4-(mercaptomethyl)-2-methoxy-«DELTA»2-1,3,4-thiadiazolin-5-one
DMTP
Geigy GS 13005
Geigy 13005
GS 13005
Medathion
Supracid
Supracide
Ultracid
Ultracid 40
S-(2,3-Dihydro-5-methoxy-2-oxo-1,3,4-thiadiazol-3-ylmethyl) O,O-dimethyl phosphorodithioate
Ciba-geigy gs 13005
(O,O-Dimethyl)-S-(-2-methoxy-«DELTA»2-1,3,4-thiadiazolin-5-on-4-ylmethyl)dithiophosphate
S-(2,3-Dihydro-5-methoxy-2-oxo-1,3,4-thiadiazol-3-methyl) dimethyl phosphorothiolothionate
O,O-Dimethyl S-(5-methoxy-1,3,4-thiadiazolinyl-3-methyl) dithiophosphate
O,O-Dimethyl-S-(2-methoxy-1,3,4-thiadiazol-5(4H)-onyl-(4)-methyl) phosphorodithioate
O,O-Dimethyl-S-(2-methoxy-1,3,4-thiadiazol-5-on-4-yl)-methyl-dithiophosphate
O,O-Dimethyl-S-(2-methoxy-1,3,4-thiadiazol-5-(4H)-onyl-(4)-methyl)-dithiophosphate
O,O-Dimethyl-S-((2-methoxy-1,3,4 (4H)-thiodiazol-5-on-4-yl)-methyl)-dithiofosfaat
O,O-Dimetil-S-((2-metossi-1,3,4-(4H)-tiadiazol-5-on-4-il)-metil)-ditiofosfato
ENT 27193
Fisons NC 2964
Methidathion 50S
S-2-Metoksy-1,3,4-tiadiazolo-5-on-N-metylo-O,O-dwumetylowy
S-((5-Methoxy-2-oxo-1,3,4-thiadiazol-3(2H)-yl)methyl) O,O-dimethyl phosphorodithioate
OMS 844
Somonil
Ultracide
Suprathion
DMTP (insecticide)
Ultracid EC 40
Dithiophosphoric acid O,O'-dimethyl-S-((2-methoxy-1,3,4-thiadiazol-5(4H)-on-4-yl)methyl) ester
Dithiophosphoric acid O,O'-dimethyl-S-((5-methoxy-1,3,4-thiadiazol-2(3H)-on-3-yl)methyl) ester

ω : Acentric Factor.
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
IE : Ionization energy (eV).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
P_c : Critical Pressure (kPa).
I_np : Non-polar retention indices.
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.5449		Relay (1.0) Calculated Property
Δ_fG°	-95.51	kJ/mol	Relay (1.0-beta) Calculated Property
Δ_fH°_gas	-404.05	kJ/mol	Relay (1.0) Calculated Property
Δ_vapH°	91.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log₁₀WS	-3.36		Relay (1.0) Calculated Property
logP_oct/wat	1.521		Crippen Calculated Property
McVol	188.890	ml/mol	McGowan Calculated Property
P_c	2408.87	kPa	Relay (1.0-beta) Calculated Property
I_np	2045.00		NIST
T_boil	640.66	K	Relay (1.0) Calculated Property
T_c	867.07	K	Relay (1.0) Calculated Property
T_fus	301.99	K	Relay (1.0) Calculated Property
V_c	0.669	m³/kmol	Relay (1.0) Calculated Property

Similar Compounds

Methidathion oxon.

7-acetyl-9-sarracinoylretronecine.

7-acetyl-9-(2,3-dihydroxybutyryl) retronecine.

N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether, trimethylsilyloxime (isomer 2).

Methylmonocrotaline.

7-diacetylintermedine.

Tryptophan-leucine-methionine,N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative.

3'-Acetylheliosupine.

Dehydrocytisine.

3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.

hematein.

Germitorosone, TMS.

uplandicine.

acetylintermedine.

GA5-13-O-«beta»-D-glucopyranoside, permethyl.

Find more compounds similar to Methidathion.

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

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