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CAS 1209458-80-9 2-BROMO-5-(TRIFLUOROMETHYL)THIAZOLE molecular structure lightbox
CAS RN: 1209458-80-9

2-BROMO-5-(TRIFLUOROMETHYL)THIAZOLE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-022260
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1209458-80-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 3 In Stock Beijing Inquiry
0.25g >97% 3 In Stock Beijing Inquiry
1g >97% 2 In Stock Beijing Inquiry
5g >97% 2 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Shenzhen Inquiry

1209458-80-9 / 2-bromo-5-(trifluoromethyl)-1,3-thiazole

2-BROMO-5-(TRIFLUOROMETHYL)-1,3-THIAZOLE | RefChem:466745 | 862-672-9

Standard CAS: 1209458-80-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1209458-80-9
Multi CAS
No
Molecular Formula
C4HBrF3NS
Molecular Weight
232.020000
Exact Mass
230.896520
SMILES
C1=C(SC(=N1)Br)C(F)(F)F
InChI
InChI=1S/C4HBrF3NS/c5-3-9-1-2(10-3)4(6,7)8/h1H
InChIKey
UFZHUWFGWBQZTL-UHFFFAOYSA-N
Synonyms
2-BROMO-5-(TRIFLUOROMETHYL)-1,3-THIAZOLE RefChem:466745 862-672-9 2-BROMO-5-(TRIFLUOROMETHYL)THIAZOLE MFCD14702723

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
34.82
TPSA
12.89

LogP / Solubility

WLOGP
2.92
MLOGP
2.58
XLogP3
2.9
Consensus LogP
2.8
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-2.06

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
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] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
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, P403+P233, P405, and P501

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