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CAS 17321-47-0 O,O-Dimethyl phosphoramidothioate molecular structure lightbox
CAS RN: 17321-47-0

O,O-Dimethyl phosphoramidothioate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250120 100g In stock Shanghai, Shandong Inquiry
Batchno.20250511 25g In stock Shanghai Inquiry
Batchno.20260414 5g In stock Chongqing Inquiry
  • Product code: starshine_CAS17321-47-0
  • Purity/Analytical Methods: >99.0%
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17321-47-0 / [amino(methoxy)phosphinothioyl]oxymethane

Standard CAS: 17321-47-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17321-47-0
Multi CAS
No
Molecular Formula
C2H8NO2PS
Molecular Weight
141.130000
Exact Mass
141.001337
SMILES
COP(=S)(N)OC
InChI
InChI=1S/C2H8NO2PS/c1-4-6(3,7)5-2/h1-2H3,(H2,3,7)
InChIKey
NKYPKIVMIGIWOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.49
TPSA
44.48

LogP / Solubility

WLOGP
0.46
MLOGP
0.4
XLogP3
0.5
Consensus LogP
0.45
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-3.25

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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