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CAS 206768-50-5 5-((trimethylsilyl)ethynyl)thiophene-2-carbaldehyde molecular structure lightbox
CAS RN: 206768-50-5

5-((trimethylsilyl)ethynyl)thiophene-2-carbaldehyde

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260106 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250204 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251217 5g In stock Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: starshine_CAS206768-50-5
  • Purity/Analytical Methods: >99.0%
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206768-50-5 / 5-(2-trimethylsilylethynyl)thiophene-2-carbaldehyde

Standard CAS: 206768-50-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206768-50-5
Multi CAS
No
Molecular Formula
C10H12OSSi
Molecular Weight
208.350000
Exact Mass
208.037813
SMILES
C[Si](C)(C)C#CC1=CC=C(S1)C=O
InChI
InChI=1S/C10H12OSSi/c1-13(2,3)7-6-9-4-5-10(8-11)12-9/h4-5,8H,1-3H3
InChIKey
ZQHWKWCIFQDDIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
59.93
TPSA
17.07

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
2.79
Consensus LogP
2.68
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01

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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