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CAS 1150654-80-0 Potassium trifluoro(thiomorpholinomethyl)borate molecular structure lightbox
CAS RN: 1150654-80-0

Potassium trifluoro(thiomorpholinomethyl)borate

  • Product code: SSC-014811
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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: 1g
  • 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 1150654-80-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1150654-80-0 / potassium trifluoro(thiomorpholin-4-ylmethyl)boranuide

Potassium 4-trifluoroboratomethylthiomorpholine | Potassium trifluoro(thiomorpholinomethyl)borate | MFCD10700162

Standard CAS: 1150654-80-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1150654-80-0
Multi CAS
No
Molecular Formula
C5H10BF3KNS
Molecular Weight
223.110000
Exact Mass
223.021617
SMILES
[B-](CN1CCSCC1)(F)(F)F.[K+]
InChI
InChI=1S/C5H10BF3NS.K/c7-6(8,9)5-10-1-3-11-4-2-10;/h1-5H2;/q-1;+1
InChIKey
KCUIXVZONFYNMW-UHFFFAOYSA-N
Synonyms
Potassium 4-trifluoroboratomethylthiomorpholine Potassium trifluoro(thiomorpholinomethyl)borate MFCD10700162 potassium;trifluoro(thiomorpholin-4-ylmethyl)boranuide Borate(1-), trifluoro(4-thiomorpholinylmethyl)-, potassium (1:1), (T-4)-

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
42.84
TPSA
3.24

LogP / Solubility

WLOGP
-1.57
MLOGP
-1.38
XLogP3
-1.57
Consensus LogP
-1.51
Log S (ESOL)
-0.1
Class (ESOL)
Very soluble
Log S (Ali)
-0.25
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.04
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)
-5.2

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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