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CAS 5925-75-7 S-Methyl Thiopropionate molecular structure lightbox
CAS RN: 5925-75-7

S-Methyl Thiopropionate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250101 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTM3279
  • Purity/Analytical Methods: >98.0%(GC)
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5925-75-7 / S-methyl propanethioate

Standard CAS: 5925-75-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5925-75-7
Multi CAS
Yes
Molecular Formula
C4H8OS
Molecular Weight
104.170000
Exact Mass
104.029586
InChI
InChI=1S/C4H8OS/c1-3-4(5)6-2/h3H2,1-2H3
InChIKey
AIILTVHCLAEMDA-UHFFFAOYSA-N

Physical Properties

Boiling Point
120.00 °C. @ 760.00 mm Hg
Density
0.990-0.996
Physical Description
Liquid Colourless liquid; Fruity, milk-like aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
28.81
TPSA
17.07

LogP / Solubility

WLOGP
1.29
MLOGP
1.12
XLogP3
1.1
Consensus LogP
1.17
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-2.44

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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