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CAS 184360-52-9 (S)-2-Amino-1-(pyrrolidin-1-yl)propane-1-thione hydrochloride molecular structure lightbox
CAS RN: 184360-52-9

(S)-2-Amino-1-(pyrrolidin-1-yl)propane-1-thione hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250919 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS184360-52-9
  • Purity/Analytical Methods: >99.0%
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184360-52-9 / (2S)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride

Standard CAS: 184360-52-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
184360-52-9
Multi CAS
No
Molecular Formula
C7H15ClN2S
Molecular Weight
194.730000
Exact Mass
194.064447
SMILES
C[C@@H](C(=S)N1CCCC1)N.Cl
InChI
InChI=1S/C7H14N2S.ClH/c1-6(8)7(10)9-4-2-3-5-9;/h6H,2-5,8H2,1H3;1H/t6-;/m0./s1
InChIKey
LXPYPNJLYBHQSN-RGMNGODLSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.3
TPSA
29.26

LogP / Solubility

WLOGP
1.18
MLOGP
1.04
XLogP3
1.18
Consensus LogP
1.13
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-3.07

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
2

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