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CAS 81606-31-7 4,5-Dibromothiophene-2-sulphonyl chloride molecular structure lightbox
CAS RN: 81606-31-7

4,5-Dibromothiophene-2-sulphonyl chloride

  • Product code: SSC-190009
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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: 10g
  • 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 81606-31-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞95% 0 Out of Stock Shenzhen Inquiry

81606-31-7 / 4,5-dibromothiophene-2-sulfonyl chloride

Standard CAS: 81606-31-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81606-31-7
Multi CAS
No
Molecular Formula
C4HBR2CLO2S2
Molecular Weight
340.400000
Exact Mass
339.745280
InChI
InChI=1S/C4HBr2ClO2S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H
InChIKey
WJYGHWXWQSCONR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
52.76
TPSA
34.14

LogP / Solubility

WLOGP
3.2
MLOGP
2.83
XLogP3
3.7
Consensus LogP
3.24
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

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

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