CAS RN: 2093197-82-9
2-((2-butyloctyl)thio)thiophene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250903 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2093197-82-9
- Purity/Analytical Methods: >99.0%
2093197-82-9 / 2-(2-butyloctylsulfanyl)thiophene
Basic Information
CAS
2093197-82-9
Multi CAS
No
Molecular Formula
C16H28S2
Molecular Weight
284.500000
Exact Mass
284.163243
SMILES
CCCCCCC(CCCC)CSC1=CC=CS1
InChI
InChI=1S/C16H28S2/c1-3-5-7-8-11-15(10-6-4-2)14-18-16-12-9-13-17-16/h9,12-13,15H,3-8,10-11,14H2,1-2H3
InChIKey
SRQBBVVVANSMQV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
86.82
TPSA
53.5000
LogP / Solubility
WLOGP
6.62
MLOGP
5.83
XLogP3
7.7
Consensus LogP
6.72
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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