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CAS 72433-66-0 4-DibenzothiophenaMine molecular structure lightbox
CAS RN: 72433-66-0

4-DibenzothiophenaMine

  • Product code: SSC-181932
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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: ≥95%
  • 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 72433-66-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

72433-66-0 / dibenzothiophen-4-amine

Standard CAS: 72433-66-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72433-66-0
Multi CAS
No
Molecular Formula
C12H9NS
Molecular Weight
199.270000
Exact Mass
199.045570
InChI
InChI=1S/C12H9NS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H,13H2
InChIKey
JIGOHKABACJGLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
13
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.74
TPSA
26.02

LogP / Solubility

WLOGP
3.64
MLOGP
3.2
XLogP3
3.7
Consensus LogP
3.51
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
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)
-1.35

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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