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CAS 267-65-2 Benzo[1,2-b:4,5-b’]dithiophene molecular structure lightbox
CAS RN: 267-65-2

Benzo[1,2-b:4,5-b’]dithiophene

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250131 100mg In stock Shanghai Inquiry
Batchno.20250409 10g Out of stock Inquiry
Batchno.20251228 1g In stock Shanghai Inquiry
Batchno.20260122 250mg In stock Shanghai Inquiry
Batchno.20260106 5g Out of stock Inquiry
  • Product code: SSC-124822
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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: ＞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 267-65-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

267-65-2 / 2-(2-thiophen-2-ylethynyl)thiophene

Standard CAS: 267-65-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
267-65-2
Multi CAS
No
Molecular Formula
C10H6S2
Molecular Weight
190.300000
Exact Mass
189.991093
SMILES
C1=CSC(=C1)C#CC2=CC=CS2
InChI
InChI=1S/C10H6S2/c1-3-9(11-7-1)5-6-10-4-2-8-12-10/h1-4,7-8H
InChIKey
UVIHBGIRBHGVTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.62
TPSA
56.5000

LogP / Solubility

WLOGP
3.21
MLOGP
2.82
XLogP3
3.4
Consensus LogP
3.14
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.6

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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