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CAS 756-80-9 O,O’-Dimethyl Dithiophosphate molecular structure lightbox
CAS RN: 756-80-9

O,O’-Dimethyl Dithiophosphate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260405 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: ICTD5602
  • Purity/Analytical Methods: >85.0%(T)
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756-80-9 / dimethoxy-sulfanyl-sulfanylidene-lambda5-phosphane

Standard CAS: 756-80-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
756-80-9
Multi CAS
Yes
Molecular Formula
C2H7O2PS2
Molecular Weight
158.180000
Exact Mass
157.962509
InChI
InChI=1S/C2H7O2PS2/c1-3-5(6,7)4-2/h1-2H3,(H,6,7)
InChIKey
CZGGKXNYNPJFAX-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
37.29
TPSA
18.46

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
1.7
Consensus LogP
1.46
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
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)
-2.67

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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