CAS RN: 1186-09-0
O,O,S-triethyl phosphorothioate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250407 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1186-09-0
- Purity/Analytical Methods: >99.0%
1186-09-0 / 1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane
O,O,S-Triethyl phosphorothioate | O,O,S-TRIETHYLPHOSPHOROTHIOATE | RefChem:167040
Basic Information
CAS
1186-09-0
Multi CAS
No
Molecular Formula
C6H15O3PS
Molecular Weight
198.220000
Exact Mass
198.047953
SMILES
CCOP(=O)(OCC)SCC
InChI
InChI=1S/C6H15O3PS/c1-4-8-10(7,9-5-2)11-6-3/h4-6H2,1-3H3
InChIKey
YEXTYUIZRKSYHA-UHFFFAOYSA-N
Synonyms
O,O,S-Triethyl phosphorothioate
O,O,S-TRIETHYLPHOSPHOROTHIOATE
RefChem:167040
O,O,S-Triethyl thiophosphate
O,O,S-Triethyl Phosphorothiolate
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
48.99
TPSA
35.53
LogP / Solubility
WLOGP
2.92
MLOGP
2.57
XLogP3
1.3
Consensus LogP
2.26
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
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)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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