trimethylstannyl 3-sulfanylhex-5-enoate

C9H18O2SSn — CID 88795919

IUPACtrimethylstannyl 3-sulfanylhex-5-enoate
SMILESC=CCC(S)CC(=O)O[Sn](C)(C)C
InChIInChI=1S/C6H10O2S.3CH3.Sn/c1-2-3-5(9)4-6(7)8;;;;/h2,5,9H,1,3-4H2,(H,7,8);3*1H3;/q;;;;+1/p-1
InChIKeyFOTUCEJIFBTXSB-UHFFFAOYSA-M
MW309.02 g/mol
LogP2.63
Rot. Bonds5

About trimethylstannyl 3-sulfanylhex-5-enoate

trimethylstannyl 3-sulfanylhex-5-enoate (PubChem CID 88795919) has the molecular formula C9H18O2SSn and a molecular weight of 309.02 g/mol. Its IUPAC name is trimethylstannyl 3-sulfanylhex-5-enoate.

Molecular Properties

Compound Nametrimethylstannyl 3-sulfanylhex-5-enoate
PubChem CID88795919
Molecular FormulaC9H18O2SSn
Molecular Weight309.02 g/mol
Exact Mass310.00
IUPAC Nametrimethylstannyl 3-sulfanylhex-5-enoate
SMILESC=CCC(S)CC(=O)O[Sn](C)(C)C
InChIInChI=1S/C6H10O2S.3CH3.Sn/c1-2-3-5(9)4-6(7)8;;;;/h2,5,9H,1,3-4H2,(H,7,8);3*1H3;/q;;;;+1/p-1
InChIKeyFOTUCEJIFBTXSB-UHFFFAOYSA-M
XLogP2.63
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.02
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylstannyl 3-sulfanylhex-5-enoate?
The IUPAC name of trimethylstannyl 3-sulfanylhex-5-enoate (CID 88795919) is trimethylstannyl 3-sulfanylhex-5-enoate.
What is the SMILES notation for trimethylstannyl 3-sulfanylhex-5-enoate?
The canonical SMILES for trimethylstannyl 3-sulfanylhex-5-enoate is C=CCC(S)CC(=O)O[Sn](C)(C)C.
What is the InChIKey of trimethylstannyl 3-sulfanylhex-5-enoate?
The InChIKey is FOTUCEJIFBTXSB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O2S.3CH3.Sn/c1-2-3-5(9)4-6(7)8;;;;/h2,5,9H,1,3-4H2,(H,7,8);3*1H3;/q;;;;+1/p-1.
What are the key properties of trimethylstannyl 3-sulfanylhex-5-enoate?
trimethylstannyl 3-sulfanylhex-5-enoate has a molecular weight of 309.02 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylstannyl 3-sulfanylhex-5-enoate is sourced from PubChem (CID 88795919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).