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CAS 23354-93-0 1,4-Di(2-thienyl)-1,3-butadiene (mixture of isomers) molecular structure lightbox
CAS RN: 23354-93-0

1,4-Di(2-thienyl)-1,3-butadiene (mixture of isomers)

  • Product code: SSC-113074
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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 23354-93-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

23354-93-0 / 2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophene

Standard CAS: 23354-93-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23354-93-0
Multi CAS
No
Molecular Formula
C12H10S2
Molecular Weight
218.300000
Exact Mass
218.022393
SMILES
C1=CSC(=C1)/C=C/C=C/C2=CC=CS2
InChI
InChI=1S/C12H10S2/c1(5-11-7-3-9-13-11)2-6-12-8-4-10-14-12/h1-10H/b5-1+,6-2+
InChIKey
SEIGKYBFMXSLAH-IJIVKGSJSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
66.71
TPSA
56.5000

LogP / Solubility

WLOGP
4.54
MLOGP
3.99
XLogP3
4.3
Consensus LogP
4.28
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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