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CAS 912332-92-4 6-broMo-2-Methylbenzo[b]thiophene molecular structure lightbox
CAS RN: 912332-92-4

6-broMo-2-Methylbenzo[b]thiophene

  • Product code: SSC-204116
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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 912332-92-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

912332-92-4 / 6-bromo-2-methyl-1-benzothiophene

Standard CAS: 912332-92-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
912332-92-4
Multi CAS
No
Molecular Formula
C9H7BRS
Molecular Weight
227.120000
Exact Mass
225.945180
InChI
InChI=1S/C9H7BrS/c1-6-4-7-2-3-8(10)5-9(7)11-6/h2-5H,1H3
InChIKey
DPXCVGWKYNCVLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
1
Molar refractivity
54.26
TPSA
28.2000

LogP / Solubility

WLOGP
3.97
MLOGP
3.5
XLogP3
4
Consensus LogP
3.82
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29

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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