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CAS 919-86-8 DEMETON-S-METHYL molecular structure lightbox
CAS RN: 919-86-8

DEMETON-S-METHYL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250222 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS919-86-8
  • Purity/Analytical Methods: >99.0%
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919-86-8 / 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane

Standard CAS: 919-86-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
919-86-8
Multi CAS
No
Molecular Formula
C6H15O3PS2
Molecular Weight
230.300000
Exact Mass
230.020024
InChI
InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3
InChIKey
WEBQKRLKWNIYKK-UHFFFAOYSA-N

Physical Properties

Boiling Point
192 °F at 0.15 mmHg (EPA, 1998) 74 °C at 0.15 mm Hg; 92 °C at 0.2 mm Hg; 102 °C at 0.40 mm Hg at 0.13kPa: 118 °C
Density
1.207 at 68 °F (EPA, 1998) - Denser than water; will sink 1.21 at 20 °C Relative density (water = 1): 1.2
Physical Description
Demeton-s-methyl is a pale yellow oil. Used as an insecticide. Not registered as a pesticide in the U.S. (EPA, 1998) Oily, colorless to pale yellow liquid with an unpleasant odor; [ACGIH] COLOURLESS-TO-PALE YELLOW OILY LIQUID WITH CHARACTERISTIC ODOUR.
Appearance
Oily colorless to pale yellow liquid Colorless oil
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
57.08
TPSA
35.53

LogP / Solubility

WLOGP
2.87
MLOGP
2.53
XLogP3
1
Consensus LogP
2.13
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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