CAS RN: 106139-15-5

Pyridine dithioethylamine hydrochloride(PDA-HCl)

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8 package records7 with current stock2 grade groups
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Batchno.20260220 50mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
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Batchno.20250510 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251228 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250913 25g In stock Shanghai Inquiry
Batchno.20250906 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: starshine_CAS106139-15-5
  • Purity/Analytical Methods: >99.0%
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106139-15-5 / 2-(pyridin-2-yldisulfanyl)ethanamine;hydrochloride

2-[(2-AMINOETHYL)DISULFANYL]PYRIDINE HYDROCHLORIDE | 2-((2-Aminoethyl)disulfanyl)pyridine hydrochloride | RefChem:447686

Standard CAS: 106139-15-5 Multi CAS: Yes

Basic Information

CAS
106139-15-5
Multi CAS
Yes
Molecular Formula
C7H11ClN2S2
Molecular Weight
222.800000
Exact Mass
222.005218
SMILES
C1=CC=NC(=C1)SSCCN.Cl
InChI
InChI=1S/C7H10N2S2.ClH/c8-4-6-10-11-7-3-1-2-5-9-7;/h1-3,5H,4,6,8H2;1H
InChIKey
SEKLFMRSNLFPRB-UHFFFAOYSA-N
Synonyms
2-[(2-AMINOETHYL)DISULFANYL]PYRIDINE HYDROCHLORIDE 2-((2-Aminoethyl)disulfanyl)pyridine hydrochloride RefChem:447686 100-587-4 2-(2-Pyridyldithio)ethylamine Hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.85
TPSA
38.91

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
2.2
Consensus LogP
2.11
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly 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)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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