[email protected]
CAS 18277-27-5 2-(1-Methylpropyl)-thiazole molecular structure lightbox
CAS RN: 18277-27-5

2-(1-Methylpropyl)-thiazole

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250519 1g Out of stock Inquiry
  • Product code: starshine_CAS18277-27-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

18277-27-5 / 2-butan-2-yl-1,3-thiazole

Standard CAS: 18277-27-5 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
18277-27-5
Multi CAS
No
Molecular Formula
C7H11NS
Molecular Weight
141.240000
Exact Mass
141.061221
SMILES
CCC(C)C1=NC=CS1
InChI
InChI=1S/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3
InChIKey
MHJSWOZJMPIGJQ-UHFFFAOYSA-N

Physical Properties

Density
0.998-1.003
Physical Description
Colourless liquid; raw, green, herbaceous odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
40.82
TPSA
12.89

LogP / Solubility

WLOGP
2.66
MLOGP
2.33
XLogP3
2.5
Consensus LogP
2.5
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-1.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (39.7%): Flammable liquid and vapor [Warning Flammable liquids] H315 (96.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (96.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (96.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us