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CAS 871-76-1 2,2′-Thiobis(ethylamine) molecular structure lightbox
CAS RN: 871-76-1

2,2′-Thiobis(ethylamine)

  • Product code: SSC-196638
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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: 1g
  • Available purity: ≥98%
  • 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 871-76-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

871-76-1 / 2-(2-aminoethylsulfanyl)ethanamine

Standard CAS: 871-76-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
871-76-1
Multi CAS
Yes
Molecular Formula
C4H12N2S
Molecular Weight
120.220000
Exact Mass
120.072120
InChI
InChI=1S/C4H12N2S/c5-1-3-7-4-2-6/h1-6H2
InChIKey
JONTXEXBTWSUKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
35.43
TPSA
52.04

LogP / Solubility

WLOGP
-0.36
MLOGP
-0.33
XLogP3
-1
Consensus LogP
-0.56
Log S (ESOL)
-0.09
Class (ESOL)
Very soluble
Log S (Ali)
-0.28
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.62
Class (SILICOS-IT)
Very 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)
-3.71

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
1.5

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