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CAS 1619967-08-6 5,5′-dibromo-3,3′-difluoro-2,2′-bithiophene molecular structure lightbox
CAS RN: 1619967-08-6

5,5′-dibromo-3,3′-difluoro-2,2′-bithiophene

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251108 1g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250213 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS1619967-08-6
  • Purity/Analytical Methods: >99.0%
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1619967-08-6 / 5-bromo-2-(5-bromo-3-fluorothiophen-2-yl)-3-fluorothiophene

Standard CAS: 1619967-08-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1619967-08-6
Multi CAS
No
Molecular Formula
C8H2Br2F2S2
Molecular Weight
360.000000
Exact Mass
359.791220
SMILES
C1=C(SC(=C1F)C2=C(C=C(S2)Br)F)Br
InChI
InChI=1S/C8H2Br2F2S2/c9-5-1-3(11)7(13-5)8-4(12)2-6(10)14-8/h1-2H
InChIKey
FEFQRVDSNOVCNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
62.95
TPSA
56.5000

LogP / Solubility

WLOGP
5.28
MLOGP
4.67
XLogP3
5.2
Consensus LogP
5.05
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.17

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] 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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