CAS RN: 148980-31-8
TERBIUM (III) TRIFLUOROMETHANESULFONATE
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS148980-31-8
- Purity/Analytical Methods: >99.0%
148980-31-8 / terbium(3+);tris(trifluoromethanesulfonate)
Basic Information
CAS
148980-31-8
Multi CAS
No
Molecular Formula
C3F9O9S3Tb
Molecular Weight
606.100000
Exact Mass
605.781430
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-].[Tb+3]
InChI
InChI=1S/3CHF3O3S.Tb/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
InChIKey
JLYAVYSVLLIWEK-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
0.18
XLogP3
0.15
Consensus LogP
0.16
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.73
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)
-6.31
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 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): 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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