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CAS 1048982-04-2 4-ethoxycarbonyl-3-chloro-1,2,5-thiadiazole molecular structure lightbox
CAS RN: 1048982-04-2

4-ethoxycarbonyl-3-chloro-1,2,5-thiadiazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260412 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-006635
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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 1048982-04-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1048982-04-2 / ethyl 4-chloro-1,2,5-thiadiazole-3-carboxylate

ethyl 4-chloro-1,2,5-thiadiazole-3-carboxylate | 4-ethoxycarbonyl-3-chloro-1,2,5-thiadiazole | MFCD28362230

Standard CAS: 1048982-04-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1048982-04-2
Multi CAS
No
Molecular Formula
C5H5ClN2O2S
Molecular Weight
192.620000
Exact Mass
191.976026
SMILES
CCOC(=O)C1=NSN=C1Cl
InChI
InChI=1S/C5H5ClN2O2S/c1-2-10-5(9)3-4(6)8-11-7-3/h2H2,1H3
InChIKey
KHOZHRZVXCVBQQ-UHFFFAOYSA-N
Synonyms
ethyl 4-chloro-1,2,5-thiadiazole-3-carboxylate 4-ethoxycarbonyl-3-chloro-1,2,5-thiadiazole MFCD28362230 SCHEMBL4553774 SY334042

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
40.88
TPSA
52.08

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
1.9
Consensus LogP
1.49
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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)
-2.92

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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