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CAS 29421-73-6 3,5-Dibromo-2-methylthiophene molecular structure lightbox
CAS RN: 29421-73-6

3,5-Dibromo-2-methylthiophene

  • Product code: SSC-132279
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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: 25g
  • 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 29421-73-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

29421-73-6 / 3,5-dibromo-2-methylthiophene

Standard CAS: 29421-73-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29421-73-6
Multi CAS
Yes
Molecular Formula
C5H4BR2S
Molecular Weight
255.960000
Exact Mass
255.838000
InChI
InChI=1S/C5H4Br2S/c1-3-4(6)2-5(7)8-3/h2H,1H3
InChIKey
OGAJGUIMFMRGRB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.2
H-bond acceptors
1
Molar refractivity
44.46
TPSA
28.2000

LogP / Solubility

WLOGP
3.58
MLOGP
3.16
XLogP3
3.7
Consensus LogP
3.48
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly 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)
-1.74

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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