CAS RN: 178931-63-0
5,5”-Bis(trimethylstannyl)-2,2′:5′,2”-terthiophene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260622 | 200mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTB5690
- Purity/Analytical Methods: >98.0%(HPLC)
178931-63-0 / trimethyl-[5-[5-(5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane
Basic Information
CAS
178931-63-0
Multi CAS
No
Molecular Formula
C18H24S3Sn2
Molecular Weight
574.000000
Exact Mass
573.907820
SMILES
C[Sn](C)(C)C1=CC=C(S1)C2=CC=C(S2)C3=CC=C(S3)[Sn](C)(C)C
InChI
InChI=1S/C12H6S3.6CH3.2Sn/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10;;;;;;;;/h1-6H;6*1H3;;
InChIKey
FIKQPMKITUNTEK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
116.91
TPSA
84.7000
LogP / Solubility
WLOGP
6.3
MLOGP
5.58
XLogP3
6.3
Consensus LogP
6.06
Log S (ESOL)
-7.58
Class (ESOL)
Insoluble
Log S (Ali)
-8.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.1
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
2.5
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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