bis(decane-1-thiolate);dimethyltin(2+)

C22H48S2Sn — CID 21453567

IUPACbis(decane-1-thiolate);dimethyltin(2+)
SMILESCCCCCCCCCC[S-].CCCCCCCCCC[S-].C[Sn+2]C
InChIInChI=1S/2C10H22S.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11;;;/h2*11H,2-10H2,1H3;2*1H3;/q;;;;+2/p-2
InChIKeyCNFDPCHTBTZXFD-UHFFFAOYSA-L
MW495.47 g/mol
LogP8.13
Rot. Bonds16

About bis(decane-1-thiolate);dimethyltin(2+)

bis(decane-1-thiolate);dimethyltin(2+) (PubChem CID 21453567) has the molecular formula C22H48S2Sn and a molecular weight of 495.47 g/mol. Its IUPAC name is bis(decane-1-thiolate);dimethyltin(2+).

Molecular Properties

Compound Namebis(decane-1-thiolate);dimethyltin(2+)
PubChem CID21453567
Molecular FormulaC22H48S2Sn
Molecular Weight495.47 g/mol
Exact Mass496.22
IUPAC Namebis(decane-1-thiolate);dimethyltin(2+)
SMILESCCCCCCCCCC[S-].CCCCCCCCCC[S-].C[Sn+2]C
InChIInChI=1S/2C10H22S.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11;;;/h2*11H,2-10H2,1H3;2*1H3;/q;;;;+2/p-2
InChIKeyCNFDPCHTBTZXFD-UHFFFAOYSA-L
XLogP8.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.47
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

docosane-1-thiolate
CID 102062479
silver hexadecane-1-thiolate
CID 100970430
silver octadecane-1-thiolate
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CID 173438464
CID 173438464
potassium octane-1-thiolate
CID 23682502
hexane-1-thiolate;titanium(4+)
CID 172788894
gold(1+);tetradecane-1-thiolate
CID 118692951
manganese(2+);bis(octane-1-thiolate)
CID 88657665
dioctyltin(2+);bis(octane-1-thiolate)
CID 23177277
mercury(2+);pentane-1-thiolate;iodide
CID 101041651
CID 134927802
CID 134927802
tetrakis(butane-1-thiolate);tin(4+)
CID 102601027

Frequently Asked Questions

What is the IUPAC name of bis(decane-1-thiolate);dimethyltin(2+)?
The IUPAC name of bis(decane-1-thiolate);dimethyltin(2+) (CID 21453567) is bis(decane-1-thiolate);dimethyltin(2+).
What is the SMILES notation for bis(decane-1-thiolate);dimethyltin(2+)?
The canonical SMILES for bis(decane-1-thiolate);dimethyltin(2+) is CCCCCCCCCC[S-].CCCCCCCCCC[S-].C[Sn+2]C.
What is the InChIKey of bis(decane-1-thiolate);dimethyltin(2+)?
The InChIKey is CNFDPCHTBTZXFD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H22S.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11;;;/h2*11H,2-10H2,1H3;2*1H3;/q;;;;+2/p-2.
What are the key properties of bis(decane-1-thiolate);dimethyltin(2+)?
bis(decane-1-thiolate);dimethyltin(2+) has a molecular weight of 495.47 g/mol, XLogP of 8.13, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(decane-1-thiolate);dimethyltin(2+) is sourced from PubChem (CID 21453567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).