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CAS 39238-07-8 4-(CHLOROMETHYL)-2-METHYL-1,3-THIAZOLE molecular structure lightbox
CAS RN: 39238-07-8

4-(CHLOROMETHYL)-2-METHYL-1,3-THIAZOLE

  • Product code: SSC-146931
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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: 5g
  • 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 39238-07-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

39238-07-8 / 4-(chloromethyl)-2-methyl-1,3-thiazole

Standard CAS: 39238-07-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39238-07-8
Multi CAS
Yes
Molecular Formula
C5H6CLNS
Molecular Weight
147.630000
Exact Mass
146.990948
InChI
InChI=1S/C5H6ClNS/c1-4-7-5(2-6)3-8-4/h3H,2H2,1H3
InChIKey
AQBBZYVPKBIILN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
36.41
TPSA
12.89

LogP / Solubility

WLOGP
2.19
MLOGP
1.92
XLogP3
1.8
Consensus LogP
1.97
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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