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CAS 3783-65-1 Thiophene, 2-(2-phenylethenyl)- molecular structure lightbox
CAS RN: 3783-65-1

Thiophene, 2-(2-phenylethenyl)-

  • Product code: SSC-145279
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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: ≥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 3783-65-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

3783-65-1 / 2-(2-phenylethenyl)thiophene

Standard CAS: 3783-65-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3783-65-1
Multi CAS
Yes
Molecular Formula
C12H10S
Molecular Weight
186.270000
Exact Mass
186.050321
InChI
InChI=1S/C12H10S/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-10H
InChIKey
DPAPGSNLWBQIGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
59.69
TPSA
28.2000

LogP / Solubility

WLOGP
3.92
MLOGP
3.45
XLogP3
3.9
Consensus LogP
3.76
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.07

Drug-likeness / Medicinal Chemistry

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

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