![CAS 1619967-09-7 (3,3′-Difluoro-[2,2′-bithiophene]-5,5′-diyl)bis(trimethylstannane) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5436-jpgcontextbwfzdgvyfhjvb3r8mzm1njb8aw1hz2uvanblz3xozguvadm2lzg5mzaznzizntqwnzgvrdu0mzyuanbnfdm0mjzlode0ytgxmdk2yznlndg5zdbhn2i0ndrlmzqxmwq3nmuwztllmznjztywzmflyzhhzdrizmfjm2yymtm.jpeg)
CAS RN: 1619967-09-7
(3,3′-Difluoro-[2,2′-bithiophene]-5,5′-diyl)bis(trimethylstannane)
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: ICTD5436
- Purity/Analytical Methods: >98.0%(HPLC)
1619967-09-7 / [4-fluoro-5-(3-fluoro-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
Basic Information
CAS
1619967-09-7
Multi CAS
No
Molecular Formula
C14H20F2S2Sn2
Molecular Weight
527.900000
Exact Mass
527.901260
SMILES
C[Sn](C)(C)C1=CC(=C(S1)C2=C(C=C(S2)[Sn](C)(C)C)F)F
InChI
InChI=1S/C8H2F2S2.6CH3.2Sn/c9-5-1-3-11-7(5)8-6(10)2-4-12-8;;;;;;;;/h1-2H;6*1H3;;
InChIKey
LHSHSFDCEZYLMZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
93.51
TPSA
56.5000
LogP / Solubility
WLOGP
4.85
MLOGP
4.3
XLogP3
4.85
Consensus LogP
4.67
Log S (ESOL)
-6.34
Class (ESOL)
Insoluble
Log S (Ali)
-7.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.47
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.5
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)
Acute Toxic
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H300+H310+H330 (100%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
H310 (100%): Fatal in contact with skin [Danger Acute toxicity, dermal]
H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501
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![CAS 53255-78-0 3,4-Dibromothieno[2,3-b]thiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4033-jpgcontextbwfzdgvyfhjvb3r8nde3mtl8aw1hz2uvanblz3xomtkvage2lzg5mzaymzu1oda0ndyvrdqwmzmuanbnfgjkyjmyyzblndy1mdnmnmi4ndy0njm0otgxyjmxmmnmmdzjyzjmymvjmdhlyzbkzjflnzuwyzdjzmyzyjrmmgy.jpeg)
