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CAS 541-58-2 2,4-Dimethylthiazole molecular structure lightbox
CAS RN: 541-58-2

2,4-Dimethylthiazole

  • Product code: SSC-161649
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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: 25g, 100g
  • 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 541-58-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

541-58-2 / 2,4-dimethyl-1,3-thiazole

Standard CAS: 541-58-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
541-58-2
Multi CAS
Yes
Molecular Formula
C5H7NS
Molecular Weight
113.180000
Exact Mass
113.029920
InChI
InChI=1S/C5H7NS/c1-4-3-7-5(2)6-4/h3H,1-2H3
InChIKey
OBSLLHNATPQFMJ-UHFFFAOYSA-N

Physical Properties

Melting Point
69.00 °C. @ 760.00 mm Hg
Boiling Point
145.00 °C. @ 760.00 mm Hg

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
2
Molar refractivity
31.59
TPSA
12.89

LogP / Solubility

WLOGP
1.76
MLOGP
1.54
XLogP3
1.8
Consensus LogP
1.7
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-2.16

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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