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CAS 116971-10-9 2,5-DIBROMO-3-BUTYLTHIOPHENE molecular structure lightbox
CAS RN: 116971-10-9

2,5-DIBROMO-3-BUTYLTHIOPHENE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250906 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-016789
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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: 5g
  • Available purity: ＞97%
  • 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 116971-10-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

116971-10-9 / 2,5-dibromo-3-butylthiophene

2,5-Dibromo-3-butylthiophene | Thiophene, 2,5-dibromo-3-butyl- | MFCD00672012

Standard CAS: 116971-10-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116971-10-9
Multi CAS
No
Molecular Formula
C8H10Br2S
Molecular Weight
298.040000
Exact Mass
297.884950
SMILES
CCCCC1=C(SC(=C1)Br)Br
InChI
InChI=1S/C8H10Br2S/c1-2-3-4-6-5-7(9)11-8(6)10/h5H,2-4H2,1H3
InChIKey
YRSQCQUZWSQKKU-UHFFFAOYSA-N
Synonyms
2,5-Dibromo-3-butylthiophene Thiophene, 2,5-dibromo-3-butyl- MFCD00672012 C8H10Br2S 2,5-dibromo-3-butyl-thiophene

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
58.33
TPSA
28.2000

LogP / Solubility

WLOGP
4.62
MLOGP
4.07
XLogP3
5.5
Consensus LogP
4.73
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.26

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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