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CAS 98650-04-5 Mercaptoethylammonium Iodide molecular structure lightbox
CAS RN: 98650-04-5

Mercaptoethylammonium Iodide

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250916 1g In stock Inquiry
Batchno.20250203 250mg In stock Inquiry
Batchno.20251119 50mg Out of stock Inquiry
  • Product code: starshine_CAS98650-04-5
  • Purity/Analytical Methods: >99.0%
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98650-04-5 / 2-sulfanylethylazanium iodide

Standard CAS: 98650-04-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
98650-04-5
Multi CAS
No
Molecular Formula
C2H8InS
Molecular Weight
205.060000
Exact Mass
204.942220
InChI
InChI=1S/C2H7NS.HI/c3-1-2-4;/h4H,1-3H2;1H
InChIKey
ZJFJYTCVHNRWFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
21.61
TPSA
27.64

LogP / Solubility

WLOGP
-3.84
MLOGP
-3.38
XLogP3
-3.84
Consensus LogP
-3.69
Log S (ESOL)
1.37
Class (ESOL)
Highly soluble
Log S (Ali)
1.53
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.07
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-6.7

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

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