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CAS 1190198-24-3 6-Bromobenzo[b]thiophene-2-carbonitrile molecular structure lightbox
CAS RN: 1190198-24-3

6-Bromobenzo[b]thiophene-2-carbonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250209 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-019290
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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 1190198-24-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1190198-24-3 / 6-bromo-1-benzothiophene-2-carbonitrile

6-bromobenzo[b]thiophene-2-carbonitrile | 6-bromo-1-benzothiophene-2-carbonitrile | MFCD12922709

Standard CAS: 1190198-24-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190198-24-3
Multi CAS
No
Molecular Formula
C9H4BrNS
Molecular Weight
238.110000
Exact Mass
236.924780
SMILES
C1=CC2=C(C=C1Br)SC(=C2)C#N
InChI
InChI=1S/C9H4BrNS/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-4H
InChIKey
FTEMXAFPAPECGA-UHFFFAOYSA-N
Synonyms
6-bromobenzo[b]thiophene-2-carbonitrile 6-bromo-1-benzothiophene-2-carbonitrile MFCD12922709 Benzo[b]thiophene-2-carbonitrile, 6-bromo- 6-Bromobenzothiophene-2-carbonitrile

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
54.24
TPSA
23.79

LogP / Solubility

WLOGP
3.54
MLOGP
3.12
XLogP3
3.7
Consensus LogP
3.45
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
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
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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