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CAS 1196-19-6 3-(Bromomethyl)benzo[b]thiophene molecular structure lightbox
CAS RN: 1196-19-6

3-(Bromomethyl)benzo[b]thiophene

Product Availability

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250912 1g In stock Inquiry
Batchno.20260312 250mg Out of stock Inquiry
Batchno.20250122 50mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251206 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-020141
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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 1196-19-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1196-19-6 / 3-(bromomethyl)-1-benzothiophene

3-(bromomethyl)-1-benzothiophene | RefChem:494368 | 831-411-0

Standard CAS: 1196-19-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1196-19-6
Multi CAS
No
Molecular Formula
C9H7BrS
Molecular Weight
227.120000
Exact Mass
225.945180
SMILES
C1=CC=C2C(=C1)C(=CS2)CBr
InChI
InChI=1S/C9H7BrS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5H2
InChIKey
WYKHJZSILIVQKU-UHFFFAOYSA-N
Synonyms
3-(bromomethyl)-1-benzothiophene RefChem:494368 831-411-0 3-(Bromomethyl)benzo[b]thiophene 3-(bromomethyl)benzothiophene

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
54.46
TPSA
28.2000

LogP / Solubility

WLOGP
3.8
MLOGP
3.34
XLogP3
3.5
Consensus LogP
3.55
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
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)
-1.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501

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