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CAS 26478-16-0 2,2-(Bromoethyl)thiophene molecular structure lightbox
CAS RN: 26478-16-0

2,2-(Bromoethyl)thiophene

  • Product code: SSC-124270
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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 26478-16-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

26478-16-0 / 2-(2-bromoethyl)thiophene

Standard CAS: 26478-16-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26478-16-0
Multi CAS
No
Molecular Formula
C6H7BrS
Molecular Weight
191.090000
Exact Mass
189.945180
SMILES
C1=CSC(=C1)CCBr
InChI
InChI=1S/C6H7BrS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4H2
InChIKey
JSELWWIIPRBECO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
41.82
TPSA
28.2000

LogP / Solubility

WLOGP
2.69
MLOGP
2.36
XLogP3
2.7
Consensus LogP
2.58
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98

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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