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CAS 22438-39-7 Decyl Methyl Sulfide molecular structure lightbox
CAS RN: 22438-39-7

Decyl Methyl Sulfide

  • Product code: SSC-109493
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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: 5ml
  • Available purity: ≥95%
  • 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 22438-39-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5ml ≥95% 0 Out of Stock Shenzhen Inquiry

22438-39-7 / 1-methylsulfanyldecane

Standard CAS: 22438-39-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22438-39-7
Multi CAS
No
Molecular Formula
C11H24S
Molecular Weight
188.380000
Exact Mass
188.159872
SMILES
CCCCCCCCCCSC
InChI
InChI=1S/C11H24S/c1-3-4-5-6-7-8-9-10-11-12-2/h3-11H2,1-2H3
InChIKey
HKGUUZAACYBIID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
60.99
TPSA
25.3000

LogP / Solubility

WLOGP
4.49
MLOGP
3.95
XLogP3
5.9
Consensus LogP
4.78
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble

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)
-0.68

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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