CAS RN: 13640-78-3
trans-1,2-Di(2-thienyl)ethylene
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-045450
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: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
13640-78-3 / 2-[(E)-2-thiophen-2-ylethenyl]thiophene
Basic Information
CAS
13640-78-3
Multi CAS
No
Molecular Formula
C10H8S2
Molecular Weight
192.300000
Exact Mass
192.006743
SMILES
C1=CSC(=C1)/C=C/C2=CC=CS2
InChI
InChI=1S/C10H8S2/c1-3-9(11-7-1)5-6-10-4-2-8-12-10/h1-8H/b6-5+
InChIKey
AYBFWHPZXYPJFW-AATRIKPKSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
57.57
TPSA
56.5000
LogP / Solubility
WLOGP
3.98
MLOGP
3.5
XLogP3
3.6
Consensus LogP
3.69
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
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
