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CAS 3698-89-3 Dodecyl methyl sulfide molecular structure lightbox
CAS RN: 3698-89-3

Dodecyl methyl sulfide

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251130 100g In stock Shanghai Inquiry
Batchno.20250801 25g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250607 500g Out of stock 8-10 business days Inquiry
Batchno.20260315 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-144278
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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: 25g
  • Available purity: ≥98%
  • 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 3698-89-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

3698-89-3 / 1-methylsulfanyldodecane

Standard CAS: 3698-89-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3698-89-3
Multi CAS
Yes
Molecular Formula
C13H28S
Molecular Weight
216.430000
Exact Mass
216.191172
InChI
InChI=1S/C13H28S/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h3-13H2,1-2H3
InChIKey
KJWHJDGMOQJLGF-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
1
Molar refractivity
70.23
TPSA
25.3000

LogP / Solubility

WLOGP
5.27
MLOGP
4.64
XLogP3
6.5
Consensus LogP
5.47
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.76
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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