Tributyl-(4-hexyl-2-thienyl)stannane

C22H42SSn — CID 102173900

IUPAC—
SMILESCCCCCCc1c[c]sc1.[CH2]CCC.[CH2]CCC.[CH2]CCC.[Sn]
InChIInChI=1S/C10H15S.3C4H9.Sn/c1-2-3-4-5-6-10-7-8-11-9-10;3*1-3-4-2;/h7,9H,2-6H2,1H3;3*1,3-4H2,2H3;
InChIKeyGGWHJTJHSJIICG-UHFFFAOYSA-N
MW457.36 g/mol
LogP8.15
Rot. Bonds8

About Tributyl-(4-hexyl-2-thienyl)stannane

Tributyl-(4-hexyl-2-thienyl)stannane (PubChem CID 102173900) has the molecular formula C22H42SSn and a molecular weight of 457.36 g/mol.

Molecular Properties

Compound NameTributyl-(4-hexyl-2-thienyl)stannane
PubChem CID102173900
Molecular FormulaC22H42SSn
Molecular Weight457.36 g/mol
Exact Mass458.20
IUPAC Name—
SMILESCCCCCCc1c[c]sc1.[CH2]CCC.[CH2]CCC.[CH2]CCC.[Sn]
InChIInChI=1S/C10H15S.3C4H9.Sn/c1-2-3-4-5-6-10-7-8-11-9-10;3*1-3-4-2;/h7,9H,2-6H2,1H3;3*1,3-4H2,2H3;
InChIKeyGGWHJTJHSJIICG-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze Tributyl-(4-hexyl-2-thienyl)stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 102301295
CID 102301295
1-butyl-4-nonylbenzene
CID 59545302
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
3-heptylthiophene;3-hexylthiophene
CID 159152668
4-nonyl-2-(4-nonylthiophen-2-yl)thiophene
CID 139119009
CID 59759292
CID 59759292
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
1-ethyl-4-octacosylbenzene
CID 175218304
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
3,4-didecylthiophene
CID 21200004
pentadecane;pentadecylbenzene
CID 174970881

Frequently Asked Questions

What is the IUPAC name of Tributyl-(4-hexyl-2-thienyl)stannane?
The IUPAC name of Tributyl-(4-hexyl-2-thienyl)stannane (CID 102173900) is not available.
What is the SMILES notation for Tributyl-(4-hexyl-2-thienyl)stannane?
The canonical SMILES for Tributyl-(4-hexyl-2-thienyl)stannane is CCCCCCc1c[c]sc1.[CH2]CCC.[CH2]CCC.[CH2]CCC.[Sn].
What is the InChIKey of Tributyl-(4-hexyl-2-thienyl)stannane?
The InChIKey is GGWHJTJHSJIICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15S.3C4H9.Sn/c1-2-3-4-5-6-10-7-8-11-9-10;3*1-3-4-2;/h7,9H,2-6H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of Tributyl-(4-hexyl-2-thienyl)stannane?
Tributyl-(4-hexyl-2-thienyl)stannane has a molecular weight of 457.36 g/mol, XLogP of 8.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Tributyl-(4-hexyl-2-thienyl)stannane is sourced from PubChem (CID 102173900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).