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CAS 1112-38-5 0,0-Dimethyl Thiophosphate molecular structure lightbox
CAS RN: 1112-38-5

0,0-Dimethyl Thiophosphate

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251023 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: starshine_CAS1112-38-5
  • Purity/Analytical Methods: >99.0%
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1112-38-5 / hydroxy-dimethoxy-sulfanylidene-lambda5-phosphane

dimethyl phosphorothioate | Phosphorothioic acid, O,O-dimethyl ester | O,O-Dimethyl phosphorothionate

Standard CAS: 1112-38-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1112-38-5
Multi CAS
Yes
Molecular Formula
C2H7O3PS
Molecular Weight
142.120000
Exact Mass
141.985352
SMILES
COP(=S)(O)OC
InChI
InChI=1S/C2H7O3PS/c1-4-6(3,7)5-2/h1-2H3,(H,3,7)
InChIKey
WWJJVKAEQGGYHJ-UHFFFAOYSA-N
Synonyms
dimethyl phosphorothioate Phosphorothioic acid, O,O-dimethyl ester O,O-Dimethyl phosphorothionate DMTP cpd RefChem:920311

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.52
TPSA
38.69

LogP / Solubility

WLOGP
0.5
MLOGP
0.43
XLogP3
0.7
Consensus LogP
0.54
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
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)
-3.23

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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