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CAS 36489-03-9 2-(Ethylthio)ethylamine molecular structure lightbox
CAS RN: 36489-03-9

2-(Ethylthio)ethylamine

  • Product code: SSC-143684
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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: 1g
  • 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 36489-03-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

36489-03-9 / 2-ethylsulfanylethanamine

Standard CAS: 36489-03-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36489-03-9
Multi CAS
No
Molecular Formula
C4H11NS
Molecular Weight
105.200000
Exact Mass
105.061221
InChI
InChI=1S/C4H11NS/c1-2-6-4-3-5/h2-5H2,1H3
InChIKey
HJCTVUWPHAZTLI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.05
TPSA
26.02

LogP / Solubility

WLOGP
0.7
MLOGP
0.6
XLogP3
0.3
Consensus LogP
0.53
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.28
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)
-2.87

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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