dimethyltin;bis(1-sulfanylethanol)

C6H18O2S2Sn — CID 157136450

IUPACdimethyltin;bis(1-sulfanylethanol)
SMILESCC(O)S.CC(O)S.C[Sn]C
InChIInChI=1S/2C2H6OS.2CH3.Sn/c2*1-2(3)4;;;/h2*2-4H,1H3;2*1H3;
InChIKeyAJRHEWYJZCSLBM-UHFFFAOYSA-N
MW305.05 g/mol
LogP1.30
Rot. Bonds

About dimethyltin;bis(1-sulfanylethanol)

dimethyltin;bis(1-sulfanylethanol) (PubChem CID 157136450) has the molecular formula C6H18O2S2Sn and a molecular weight of 305.05 g/mol. Its IUPAC name is dimethyltin;bis(1-sulfanylethanol).

Molecular Properties

Compound Namedimethyltin;bis(1-sulfanylethanol)
PubChem CID157136450
Molecular FormulaC6H18O2S2Sn
Molecular Weight305.05 g/mol
Exact Mass305.98
IUPAC Namedimethyltin;bis(1-sulfanylethanol)
SMILESCC(O)S.CC(O)S.C[Sn]C
InChIInChI=1S/2C2H6OS.2CH3.Sn/c2*1-2(3)4;;;/h2*2-4H,1H3;2*1H3;
InChIKeyAJRHEWYJZCSLBM-UHFFFAOYSA-N
XLogP1.30
TPSA40.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.05
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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2-sulfanylpropane-1,1,1-triol
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CID 57315702
erbium;propan-2-ol
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ethane-1,1-diol;hydrate
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CID 85354423
CID 85354423

Frequently Asked Questions

What is the IUPAC name of dimethyltin;bis(1-sulfanylethanol)?
The IUPAC name of dimethyltin;bis(1-sulfanylethanol) (CID 157136450) is dimethyltin;bis(1-sulfanylethanol).
What is the SMILES notation for dimethyltin;bis(1-sulfanylethanol)?
The canonical SMILES for dimethyltin;bis(1-sulfanylethanol) is CC(O)S.CC(O)S.C[Sn]C.
What is the InChIKey of dimethyltin;bis(1-sulfanylethanol)?
The InChIKey is AJRHEWYJZCSLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6OS.2CH3.Sn/c2*1-2(3)4;;;/h2*2-4H,1H3;2*1H3;.
What are the key properties of dimethyltin;bis(1-sulfanylethanol)?
dimethyltin;bis(1-sulfanylethanol) has a molecular weight of 305.05 g/mol, XLogP of 1.30, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyltin;bis(1-sulfanylethanol) is sourced from PubChem (CID 157136450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).