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CAS 13532-18-8 Methyl 3-(Methylthio)propionate molecular structure lightbox
CAS RN: 13532-18-8

Methyl 3-(Methylthio)propionate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250611 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Guangdong, Hebei, Shandong Inquiry
  • Product code: SSC-043526
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13532-18-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

13532-18-8 / methyl 3-methylsulfanylpropanoate

Standard CAS: 13532-18-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13532-18-8
Multi CAS
No
Molecular Formula
C5H10O2S
Molecular Weight
134.200000
Exact Mass
134.040151
SMILES
COC(=O)CCSC
InChI
InChI=1S/C5H10O2S/c1-7-5(6)3-4-8-2/h3-4H2,1-2H3
InChIKey
DMMJVMYCBULSIS-UHFFFAOYSA-N

Physical Properties

Boiling Point
74.00 to 75.00 °C. @ 13.00 mm Hg
Density
1.069-1.078
Physical Description
Liquid colourless to pale yellow liquid with onion-like odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
35.01
TPSA
26.3

LogP / Solubility

WLOGP
0.91
MLOGP
0.8
XLogP3
0.7
Consensus LogP
0.8
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (96.8%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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