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CAS 14217-67-5 3-Chloro-5-methylisothiazole molecular structure lightbox
CAS RN: 14217-67-5

3-Chloro-5-methylisothiazole

  • Product code: SSC-052934
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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: 0.25g
  • 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 14217-67-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

14217-67-5 / 3-chloro-5-methyl-1,2-thiazole

Standard CAS: 14217-67-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14217-67-5
Multi CAS
No
Molecular Formula
C4H4ClNS
Molecular Weight
133.600000
Exact Mass
132.975298
SMILES
CC1=CC(=NS1)Cl
InChI
InChI=1S/C4H4ClNS/c1-3-2-4(5)6-7-3/h2H,1H3
InChIKey
GLNZRUGRMQRJKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
31.86
TPSA
12.89

LogP / Solubility

WLOGP
2.1
MLOGP
1.84
XLogP3
2.3
Consensus LogP
2.08
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-2.04

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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