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CAS 189217-62-7 Lithium 1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide molecular structure lightbox
CAS RN: 189217-62-7

Lithium 1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide

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Batchno.20260311 100mg Out of stock Inquiry
  • Product code: ICTH1057
  • Purity/Analytical Methods: >98.0%(T)
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189217-62-7 / lithium 4,4,5,5,6,6-hexafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide

Standard CAS: 189217-62-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
189217-62-7
Multi CAS
No
Molecular Formula
C3F6LiNO4S2
Molecular Weight
299.100000
Exact Mass
298.933297
SMILES
[Li+].C1(C(S(=O)(=O)[N-]S(=O)(=O)C1(F)F)(F)F)(F)F
InChI
InChI=1S/C3F6NO4S2.Li/c4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9;/q-1;+1
InChIKey
VKQJSJGVEJXINS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
H-bond acceptors
4
Molar refractivity
36.04
TPSA
82.38

LogP / Solubility

WLOGP
-2.14
MLOGP
-1.87
XLogP3
-2.14
Consensus LogP
-2.05
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.17
Class (SILICOS-IT)
Highly 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)
-6.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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