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CAS 834884-74-1 4-(THIOPHEN-3-YL)ANILINE molecular structure lightbox
CAS RN: 834884-74-1

4-(THIOPHEN-3-YL)ANILINE

  • Product code: SSC-191289
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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: ＞97%
  • 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 834884-74-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

834884-74-1 / 4-thiophen-3-ylaniline

Standard CAS: 834884-74-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
834884-74-1
Multi CAS
No
Molecular Formula
C10H9NS
Molecular Weight
175.250000
Exact Mass
175.045570
InChI
InChI=1S/C10H9NS/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7H,11H2
InChIKey
GYPDHLDQINBFPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.17
TPSA
26.02

LogP / Solubility

WLOGP
3
MLOGP
2.63
XLogP3
2.5
Consensus LogP
2.71
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66

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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