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CAS 23975-15-7 alpha,alpha’-Dithienylacetylene molecular structure lightbox
CAS RN: 23975-15-7

alpha,alpha’-Dithienylacetylene

  • Product code: SSC-116954
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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 23975-15-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

23975-15-7 / 2-(2-thiophen-2-ylethynyl)thiophene

Standard CAS: 23975-15-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23975-15-7
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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