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CAS 1159821-56-3 2-cyclopropylthiazole molecular structure lightbox
CAS RN: 1159821-56-3

2-cyclopropylthiazole

  • Product code: SSC-015896
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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: 1g
  • 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 1159821-56-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1159821-56-3 / 2-cyclopropyl-1,3-thiazole

2-cyclopropyl-1,3-thiazole | RefChem:471066 | 829-240-1

Standard CAS: 1159821-56-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1159821-56-3
Multi CAS
No
Molecular Formula
C6H7NS
Molecular Weight
125.190000
Exact Mass
125.029920
SMILES
C1CC1C2=NC=CS2
InChI
InChI=1S/C6H7NS/c1-2-5(1)6-7-3-4-8-6/h3-5H,1-2H2
InChIKey
QRKNZQKHKDESCU-UHFFFAOYSA-N
Synonyms
2-cyclopropyl-1,3-thiazole RefChem:471066 829-240-1 2-Cyclopropylthiazole MFCD12033566

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
34.09
TPSA
12.89

LogP / Solubility

WLOGP
2.02
MLOGP
1.77
XLogP3
1.5
Consensus LogP
1.76
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-2.05

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H227 (100%): Combustible liquid [Warning Flammable liquids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

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