CAS RN: 5871-16-9
Thiophosphoric acid O,O-diethyl S-ammonium salt
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.20251129 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5871-16-9
- Purity/Analytical Methods: >99.0%
5871-16-9 / azane;diethoxy-hydroxy-sulfanylidene-lambda5-phosphane
Basic Information
CAS
5871-16-9
Multi CAS
Yes
Molecular Formula
C4H14NO3PS
Molecular Weight
187.200000
Exact Mass
187.043201
InChI
InChI=1S/C4H11O3PS.H3N/c1-3-6-8(5,9)7-4-2;/h3-4H2,1-2H3,(H,5,9);1H3
InChIKey
IBGKZCJDWXXWNU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.78
TPSA
73.69
LogP / Solubility
WLOGP
1.44
MLOGP
1.26
XLogP3
1.44
Consensus LogP
1.38
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately 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)
-2.84
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
