dimethyltin(2+);sulfanyl 2-hydroxyacetate

C4H10O3SSn+2 — CID 19434703

IUPACdimethyltin(2+);sulfanyl 2-hydroxyacetate
SMILESC[Sn+2]C.O=C(CO)OS
InChIInChI=1S/C2H4O3S.2CH3.Sn/c3-1-2(4)5-6;;;/h3,6H,1H2;2*1H3;/q;;;+2
InChIKeyDJDBQOWHQLXXBM-UHFFFAOYSA-N
MW256.90 g/mol
LogP0.15
Rot. Bonds1

About dimethyltin(2+);sulfanyl 2-hydroxyacetate

dimethyltin(2+);sulfanyl 2-hydroxyacetate (PubChem CID 19434703) has the molecular formula C4H10O3SSn+2 and a molecular weight of 256.90 g/mol. Its IUPAC name is dimethyltin(2+);sulfanyl 2-hydroxyacetate.

Molecular Properties

Compound Namedimethyltin(2+);sulfanyl 2-hydroxyacetate
PubChem CID19434703
Molecular FormulaC4H10O3SSn+2
Molecular Weight256.90 g/mol
Exact Mass257.94
IUPAC Namedimethyltin(2+);sulfanyl 2-hydroxyacetate
SMILESC[Sn+2]C.O=C(CO)OS
InChIInChI=1S/C2H4O3S.2CH3.Sn/c3-1-2(4)5-6;;;/h3,6H,1H2;2*1H3;/q;;;+2
InChIKeyDJDBQOWHQLXXBM-UHFFFAOYSA-N
XLogP0.15
TPSA46.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.90
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(sulfanyl) butanedioate;gadolinium
CID 88618460
sulfanyl 2-sulfanylacetate
CID 54111744
sulfanyl 3-methylbutanoate
CID 22000008
sulfanyl 2-(methylamino)acetate
CID 150047574
silyl 2-hydroxyacetate
CID 123398347
(2-hydroxyacetyl)oxymethyl 2-hydroxyacetate;methane
CID 161332645
stibanyl 2-hydroxyacetate
CID 174289017
phosphanyl 2-hydroxyacetate
CID 58716328
sulfanyl heptanoate
CID 57174280
potassium;ethyl 2-hydroxyacetate;hydride
CID 174939573
barium(2+);ethyl 2-hydroxyacetate;hydride
CID 173419911
calcium;hydride;methyl 2-hydroxyethaneperoxoate
CID 175527433

Frequently Asked Questions

What is the IUPAC name of dimethyltin(2+);sulfanyl 2-hydroxyacetate?
The IUPAC name of dimethyltin(2+);sulfanyl 2-hydroxyacetate (CID 19434703) is dimethyltin(2+);sulfanyl 2-hydroxyacetate.
What is the SMILES notation for dimethyltin(2+);sulfanyl 2-hydroxyacetate?
The canonical SMILES for dimethyltin(2+);sulfanyl 2-hydroxyacetate is C[Sn+2]C.O=C(CO)OS.
What is the InChIKey of dimethyltin(2+);sulfanyl 2-hydroxyacetate?
The InChIKey is DJDBQOWHQLXXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3S.2CH3.Sn/c3-1-2(4)5-6;;;/h3,6H,1H2;2*1H3;/q;;;+2.
What are the key properties of dimethyltin(2+);sulfanyl 2-hydroxyacetate?
dimethyltin(2+);sulfanyl 2-hydroxyacetate has a molecular weight of 256.90 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyltin(2+);sulfanyl 2-hydroxyacetate is sourced from PubChem (CID 19434703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).