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CAS 1111732-75-2 PotassiuM 4-Methylthiophene-2-trifluoroborate molecular structure lightbox
CAS RN: 1111732-75-2

PotassiuM 4-Methylthiophene-2-trifluoroborate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260124 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1111732-75-2
  • Purity/Analytical Methods: >99.0%
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1111732-75-2 / potassium trifluoro-(4-methylthiophen-2-yl)boranuide

Potassium 4-methylthiophene-2-trifluoroborate | POTASSIUM 4-METHYLTHIOPHEN-2-YLTRIFLUOROBORATE | MFCD11052667

Standard CAS: 1111732-75-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1111732-75-2
Multi CAS
No
Molecular Formula
C5H5BF3KS
Molecular Weight
204.070000
Exact Mass
203.979418
SMILES
[B-](C1=CC(=CS1)C)(F)(F)F.[K+]
InChI
InChI=1S/C5H5BF3S.K/c1-4-2-5(10-3-4)6(7,8)9;/h2-3H,1H3;/q-1;+1
InChIKey
BJFCCAQWDUGVPF-UHFFFAOYSA-N
Synonyms
Potassium 4-methylthiophene-2-trifluoroborate POTASSIUM 4-METHYLTHIOPHEN-2-YLTRIFLUOROBORATE MFCD11052667 Potassium trifluoro(4-methylthiophen-2-yl)borate potassium;trifluoro-(4-methylthiophen-2-yl)boranuide

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
37.77
TPSA
28.2000

LogP / Solubility

WLOGP
-0.89
MLOGP
-0.78
XLogP3
-0.89
Consensus LogP
-0.85
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.59

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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