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CAS 1864060-93-4 Ethyl ThioMorpholine-2-carboxylate Hydrochloride molecular structure lightbox
CAS RN: 1864060-93-4

Ethyl ThioMorpholine-2-carboxylate Hydrochloride

  • Product code: SSC-086497
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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: 0.25g, 1g
  • 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 1864060-93-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1864060-93-4 / ethyl thiomorpholine-2-carboxylate;hydrochloride

Standard CAS: 1864060-93-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1864060-93-4
Multi CAS
No
Molecular Formula
C7H14ClNO2S
Molecular Weight
211.710000
Exact Mass
211.043378
SMILES
CCOC(=O)C1CNCCS1.Cl
InChI
InChI=1S/C7H13NO2S.ClH/c1-2-10-7(9)6-5-8-3-4-11-6;/h6,8H,2-5H2,1H3;1H
InChIKey
WMIMBJKCTMHHRA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53
TPSA
38.33

LogP / Solubility

WLOGP
0.68
MLOGP
0.6
XLogP3
0.68
Consensus LogP
0.65
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-3.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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