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CAS 1363383-13-4 4-chloro-thiazole-2-carbonitrile molecular structure lightbox
CAS RN: 1363383-13-4

4-chloro-thiazole-2-carbonitrile

  • Product code: SSC-045400
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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: 0.1g
  • 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 1363383-13-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

1363383-13-4 / 4-chloro-1,3-thiazole-2-carbonitrile

Standard CAS: 1363383-13-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363383-13-4
Multi CAS
No
Molecular Formula
C4HClN2S
Molecular Weight
144.580000
Exact Mass
143.954897
SMILES
C1=C(N=C(S1)C#N)Cl
InChI
InChI=1S/C4HClN2S/c5-3-2-8-4(1-6)7-3/h2H
InChIKey
JCXNQDRYFDQOSZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
H-bond acceptors
3
Molar refractivity
31.84
TPSA
36.68

LogP / Solubility

WLOGP
1.67
MLOGP
1.46
XLogP3
2
Consensus LogP
1.71
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-2.42

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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