CAS RN: 13737-05-8
Trimethyl(2-pyridyl)tin
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: ICTT1742
- Purity/Analytical Methods: >98.0%(T)
13737-05-8 / trimethyl(pyridin-2-yl)stannane
Basic Information
CAS
13737-05-8
Multi CAS
No
Molecular Formula
C8H13NSn
Molecular Weight
241.910000
Exact Mass
243.007002
SMILES
C[Sn](C)(C)C1=CC=CC=N1
InChI
InChI=1S/C5H4N.3CH3.Sn/c1-2-4-6-5-3-1;;;;/h1-4H;3*1H3;
InChIKey
HDWHGDDNMJOCCU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
47.22
TPSA
12.89
LogP / Solubility
WLOGP
1.63
MLOGP
1.44
XLogP3
1.63
Consensus LogP
1.57
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately 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)
-3.04
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 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
H310 (100%): Fatal in contact with skin [Danger Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501
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![CAS 1352642-37-5 4,8-Bis[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis(trimethylstannyl)benzo[1,2-b:4,5-b’]dithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b4437-jpgcontextbwfzdgvyfhjvb3r8mzg4odh8aw1hz2uvanblz3xongevaduwlzg5mjkwnte1nde1mzqvqjq0mzcuanbnfgnhmji1odi5otawyjrlzje2zdu3odq0zwe0n2i0owjlnwninzgyywnkymu4zjc4zwrizjgzmtexngi5zdaxyte.jpeg)
