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CAS 89123-28-4 Thiolan-3-amine hydrochloride molecular structure lightbox
CAS RN: 89123-28-4

Thiolan-3-amine hydrochloride

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251222 100mg Out of stock Inquiry
Batchno.20260512 1g Out of stock Inquiry
Batchno.20250406 250mg Out of stock Inquiry
Batchno.20250403 50mg Out of stock Inquiry
  • Product code: starshine_CAS89123-28-4
  • Purity/Analytical Methods: >99.0%
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89123-28-4 / thiolan-3-amine;hydrochloride

Standard CAS: 89123-28-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89123-28-4
Multi CAS
No
Molecular Formula
C4H10CLNS
Molecular Weight
139.650000
Exact Mass
139.022248
InChI
InChI=1S/C4H9NS.ClH/c5-4-1-2-6-3-4;/h4H,1-3,5H2;1H
InChIKey
GYVSFOHSVVNCKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.17
TPSA
26.02

LogP / Solubility

WLOGP
0.87
MLOGP
0.76
XLogP3
0.87
Consensus LogP
0.83
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-2.95

Drug-likeness / Medicinal Chemistry

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

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