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CAS 1086381-69-2 2-broMo-5-cyclopropylthiazole molecular structure lightbox
CAS RN: 1086381-69-2

2-broMo-5-cyclopropylthiazole

  • Product code: SSC-009887
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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 1086381-69-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1086381-69-2 / 4-bromo-2-cyclopropyl-1,3-thiazole

4-BROMO-2-CYCLOPROPYL-1,3-THIAZOLE | DTXSID80669492 | RefChem:290702

Standard CAS: 1086381-69-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1086381-69-2
Multi CAS
Yes
Molecular Formula
C6H6BrNS
Molecular Weight
204.090000
Exact Mass
202.940430
SMILES
C1CC1C2=NC(=CS2)Br
InChI
InChI=1S/C6H6BrNS/c7-5-3-9-6(8-5)4-1-2-4/h3-4H,1-2H2
InChIKey
UJFDCZNRQSUMIF-UHFFFAOYSA-N
Synonyms
4-BROMO-2-CYCLOPROPYL-1,3-THIAZOLE DTXSID80669492 RefChem:290702 DTXCID40620241 867-253-4

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.79
TPSA
12.89

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
2.6
Consensus LogP
2.61
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-1.99

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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