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CAS 21856-68-8 lithium sulphamate molecular structure lightbox
CAS RN: 21856-68-8

lithium sulphamate

  • Product code: SSC-105301
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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: ≥95%
  • 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 21856-68-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

21856-68-8 / lithium sulfamate

Standard CAS: 21856-68-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21856-68-8
Multi CAS
No
Molecular Formula
H2LiNO3S
Molecular Weight
103.100000
Exact Mass
102.991543
SMILES
[Li+].NS(=O)(=O)[O-]
InChI
InChI=1S/Li.H3NO3S/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1
InChIKey
SAPIQCCFEBULSH-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
13.88
TPSA
83.22

LogP / Solubility

WLOGP
-4.59
MLOGP
-4.05
XLogP3
-4.59
Consensus LogP
-4.41
Log S (ESOL)
2.41
Class (ESOL)
Highly soluble
Log S (Ali)
2.91
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.48
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)
-6.61

Drug-likeness / Medicinal Chemistry

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

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