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CAS 141478-68-4 Thulium(III) Trifluoromethanesulfonate molecular structure lightbox
CAS RN: 141478-68-4

Thulium(III) Trifluoromethanesulfonate

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6 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250715 100g Out of stock Inquiry
Batchno.20250318 10g Out of stock Inquiry
Batchno.20260122 1g Out of stock Inquiry
Batchno.20250822 250mg Out of stock Inquiry
Batchno.20260114 25g In stock Shenzhen, Tianjin Inquiry
Batchno.20260530 5g Out of stock Inquiry
  • Product code: ICTT1920
  • Purity/Analytical Methods: >88.0%(T)
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141478-68-4 / thulium(3+);tris(trifluoromethanesulfonate)

Standard CAS: 141478-68-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
141478-68-4
Multi CAS
No
Molecular Formula
C3F9O9S3Tm
Molecular Weight
616.100000
Exact Mass
615.790293
SMILES
C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Tm+3]
InChI
InChI=1S/3CHF3O3S.Tm/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
InChIKey
PBASUZORNBYVFM-UHFFFAOYSA-K

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
1
H-bond acceptors
9
Molar refractivity
47.26
TPSA
171.6

LogP / Solubility

WLOGP
0.15
MLOGP
0.19
XLogP3
0.15
Consensus LogP
0.16
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly 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)
-6.37

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
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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