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CAS 332133-91-2 1,3,4-Thiadiazole, 2-iodo- molecular structure lightbox
CAS RN: 332133-91-2

1,3,4-Thiadiazole, 2-iodo-

  • Product code: SSC-139200
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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 332133-91-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

332133-91-2 / 2-iodo-1,3,4-thiadiazole

Standard CAS: 332133-91-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
332133-91-2
Multi CAS
No
Molecular Formula
C2HIn2S
Molecular Weight
212.010000
Exact Mass
211.890520
InChI
InChI=1S/C2HIN2S/c3-2-5-4-1-6-2/h1H
InChIKey
VPSGDHZFVJANQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Aromatic heavy atom count
5
H-bond acceptors
3
Molar refractivity
32.63
TPSA
25.78

LogP / Solubility

WLOGP
1.14
MLOGP
1.01
XLogP3
1.1
Consensus LogP
1.08
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2

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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