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CAS 1206544-88-8 2-Bromo-8-iododibenzothiophene molecular structure lightbox
CAS RN: 1206544-88-8

2-Bromo-8-iododibenzothiophene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260621 1g In stock Shanghai Inquiry
  • Product code: SSC-021695
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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 1206544-88-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

1206544-88-8 / 2-bromo-8-iododibenzothiophene

2-Bromo-8-iododibenzothiophene | 2-bromo-8-iododibenzo[b,d]thiophene | MFCD28975102

Standard CAS: 1206544-88-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1206544-88-8
Multi CAS
No
Molecular Formula
C12H6BrIS
Molecular Weight
389.050000
Exact Mass
387.841830
SMILES
C1=CC2=C(C=C1Br)C3=C(S2)C=CC(=C3)I
InChI
InChI=1S/C12H6BrIS/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H
InChIKey
HMECZSLDNCAHAV-UHFFFAOYSA-N
Synonyms
2-Bromo-8-iododibenzothiophene 2-bromo-8-iododibenzo[b,d]thiophene MFCD28975102 C12H6BrIS 2-bromo-8-iodo-dibenzothiophene

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
13
H-bond acceptors
1
Molar refractivity
79.75
TPSA
28.2000

LogP / Solubility

WLOGP
5.42
MLOGP
4.79
XLogP3
5.6
Consensus LogP
5.27
Log S (ESOL)
-6.31
Class (ESOL)
Insoluble
Log S (Ali)
-6.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.69
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.24

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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