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CAS 1068-22-0 O,O-Diethyl Dithiophosphate AMMoniuM Salt molecular structure lightbox
CAS RN: 1068-22-0

O,O-Diethyl Dithiophosphate AMMoniuM Salt

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260601 25g Out of stock Inquiry
Batchno.20250518 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250512 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS1068-22-0
  • Purity/Analytical Methods: >99.0%
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1068-22-0 / azane;diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane

kejunlin | ammonium O,O-diethyl phosphorodithioate | Ammonium O,O-diethyl dithiophosphate

Standard CAS: 1068-22-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1068-22-0
Multi CAS
Yes
Molecular Formula
C4H14NO2PS2
Molecular Weight
203.300000
Exact Mass
203.020358
SMILES
CCOP(=S)(OCC)S.N
InChI
InChI=1S/C4H11O2PS2.H3N/c1-3-5-7(8,9)6-4-2;/h3-4H2,1-2H3,(H,8,9);1H3
InChIKey
HFRHTRKMBOQLLL-UHFFFAOYSA-N
Synonyms
kejunlin ammonium O,O-diethyl phosphorodithioate Ammonium O,O-diethyl dithiophosphate NSC 8159 Ammonium O,O'-diethyldithiophosphate

Physical Properties

Physical Description
White crystals with an unpleasant ammoniacal odor
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.55
TPSA
53.46

LogP / Solubility

WLOGP
2.38
MLOGP
2.09
XLogP3
2.38
Consensus LogP
2.28
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-2.27

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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