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CAS 21744-55-8 5-Methylsulfonyltetrazole molecular structure lightbox
CAS RN: 21744-55-8

5-Methylsulfonyltetrazole

  • Product code: SSC-105019
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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 21744-55-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

21744-55-8 / 5-methylsulfonyl-2H-tetrazole

Standard CAS: 21744-55-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21744-55-8
Multi CAS
No
Molecular Formula
C2H4N4O2S
Molecular Weight
148.150000
Exact Mass
148.005497
SMILES
CS(=O)(=O)C1=NNN=N1
InChI
InChI=1S/C2H4N4O2S/c1-9(7,8)2-3-5-6-4-2/h1H3,(H,3,4,5,6)
InChIKey
IURGLLWWASFDGT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
27.29
TPSA
88.6

LogP / Solubility

WLOGP
-1.4
MLOGP
-1.24
XLogP3
-1
Consensus LogP
-1.21
Log S (ESOL)
-0.22
Class (ESOL)
Very soluble
Log S (Ali)
0.23
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.42
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)
-4.62

Drug-likeness / Medicinal Chemistry

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

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