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CAS 65505-18-2 Thiazole, 5-ethenyl-2,4-dimethyl- molecular structure lightbox
CAS RN: 65505-18-2

Thiazole, 5-ethenyl-2,4-dimethyl-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251122 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS65505-18-2
  • Purity/Analytical Methods: >99.0%
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65505-18-2 / 5-ethenyl-2,4-dimethyl-1,3-thiazole

Standard CAS: 65505-18-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
65505-18-2
Multi CAS
No
Molecular Formula
C7H9NS
Molecular Weight
139.220000
Exact Mass
139.045570
InChI
InChI=1S/C7H9NS/c1-4-7-5(2)8-6(3)9-7/h4H,1H2,2-3H3
InChIKey
MLBCDQHOBLVBQD-UHFFFAOYSA-N

Physical Properties

Boiling Point
183.00 to 184.00 °C. @ 760.00 mm Hg
Density
1.050-1.056
Physical Description
Colourless liquid; nutty, cocoa-like odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.68
TPSA
12.89

LogP / Solubility

WLOGP
2.4
MLOGP
2.11
XLogP3
2.6
Consensus LogP
2.37
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-1.86

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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