![CAS 139896-65-4 2,5-Bis[(trimethylsilyl)ethynyl]thieno[3,2-b]thiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5196-jpgcontextbwfzdgvyfhjvb3r8mjkyndf8aw1hz2uvanblz3xontuvadrmlzg5mjkxntgxmdmwnzavqjuxotyuanbnfdvmn2iynddlmjm0yzu0odcxmti5mdjkotcwmzi5mgnkzdcwntkwy2njmmuymgiyzty1zgu0ndjkmde3n2zhogq.jpeg)
CAS RN: 139896-65-4
2,5-Bis[(trimethylsilyl)ethynyl]thieno[3,2-b]thiophene
Product Availability
Choose a grade to view its available package options.
6 package records2 with current stock3 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250424 | 50mg | Out of stock | 30 business days | Inquiry |
- Product code: ICTB5196
- Purity/Analytical Methods: >98.0%(GC)
139896-65-4 / trimethyl-[2-[5-(2-trimethylsilylethynyl)thieno[3,2-b]thiophen-2-yl]ethynyl]silane
Basic Information
CAS
139896-65-4
Multi CAS
No
Molecular Formula
C16H20S2Si2
Molecular Weight
332.600000
Exact Mass
332.054496
SMILES
C[Si](C)(C)C#CC1=CC2=C(S1)C=C(S2)C#C[Si](C)(C)C
InChI
InChI=1S/C16H20S2Si2/c1-19(2,3)9-7-13-11-15-16(17-13)12-14(18-15)8-10-20(4,5)6/h11-12H,1-6H3
InChIKey
OWXZBWIZKNUJOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
8
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
100.15
TPSA
56.5000
LogP / Solubility
WLOGP
5.42
MLOGP
4.79
XLogP3
5.42
Consensus LogP
5.21
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
