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CAS 2173992-01-1 1-(1,3,4-thiadiazol-2-yl)azetidin-3-amine dihydrochloride molecular structure lightbox
CAS RN: 2173992-01-1

1-(1,3,4-thiadiazol-2-yl)azetidin-3-amine dihydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260213 100mg / 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-104942
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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 2173992-01-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2173992-01-1 / 1-(1,3,4-thiadiazol-2-yl)azetidin-3-amine;dihydrochloride

Standard CAS: 2173992-01-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2173992-01-1
Multi CAS
No
Molecular Formula
C5H10Cl2N4S
Molecular Weight
229.130000
Exact Mass
228.000323
SMILES
C1C(CN1C2=NN=CS2)N.Cl.Cl
InChI
InChI=1S/C5H8N4S.2ClH/c6-4-1-9(2-4)5-8-7-3-10-5;;/h3-4H,1-2,6H2;2*1H
InChIKey
GRURSWRPQBZMRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
54.59
TPSA
55.04

LogP / Solubility

WLOGP
0.53
MLOGP
0.47
XLogP3
0.53
Consensus LogP
0.51
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-3.74

Drug-likeness / Medicinal Chemistry

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

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