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CAS 1025113-78-3 Potassium5-Formyl-2-thiophenetrifluoroborate molecular structure lightbox
CAS RN: 1025113-78-3

Potassium5-Formyl-2-thiophenetrifluoroborate

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260329 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250424 250mg In stock Tianjin Inquiry
Batchno.20260103 25g In stock Shanghai Inquiry
Batchno.20260101 5g Out of stock Inquiry
  • Product code: SSC-003763
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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: 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1025113-78-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

1025113-78-3 / potassium trifluoro-(5-formylthiophen-2-yl)boranuide

Potassium 5-Formyl-2-thiophenetrifluoroborate | RefChem:867665 | 680-900-3

Standard CAS: 1025113-78-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1025113-78-3
Multi CAS
No
Molecular Formula
C5H3BF3KOS
Molecular Weight
218.050000
Exact Mass
217.958682
SMILES
[B-](C1=CC=C(S1)C=O)(F)(F)F.[K+]
InChI
InChI=1S/C5H3BF3OS.K/c7-6(8,9)5-2-1-4(3-10)11-5;/h1-3H;/q-1;+1
InChIKey
XERVPXDMNWPUFB-UHFFFAOYSA-N
Synonyms
Potassium 5-Formyl-2-thiophenetrifluoroborate RefChem:867665 680-900-3 POTASSIUM 5-FORMYLTHIOPHENE-2-TRIFLUOROBORATE Potassium trifluoro(5-formylthiophen-2-yl)borate

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
38.42
TPSA
17.07

LogP / Solubility

WLOGP
-1.38
MLOGP
-1.21
XLogP3
-1.38
Consensus LogP
-1.32
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.35
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.17
Class (SILICOS-IT)
Very soluble

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)
-5.03

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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