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CAS 933690-30-3 4-Isothiazolecarboxylic acid, 3-chloro molecular structure lightbox
CAS RN: 933690-30-3

4-Isothiazolecarboxylic acid, 3-chloro

  • Product code: SSC-207382
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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 933690-30-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

933690-30-3 / 3-chloro-1,2-thiazole-4-carboxylic acid

Standard CAS: 933690-30-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
933690-30-3
Multi CAS
No
Molecular Formula
C4H2CLNO2S
Molecular Weight
163.580000
Exact Mass
162.949477
InChI
InChI=1S/C4H2ClNO2S/c5-3-2(4(7)8)1-9-6-3/h1H,(H,7,8)
InChIKey
ZXVLOGPHTXPJCU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.08
TPSA
50.19

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.5
Consensus LogP
1.43
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-2.66

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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