3-[2,3-dihydroxypropylsulfanyl(dimethyl)stannyl]sulfanylpropane-1,2-diol

C8H20O4S2Sn — CID 86008094

IUPAC3-[2,3-dihydroxypropylsulfanyl(dimethyl)stannyl]sulfanylpropane-1,2-diol
SMILESC[Sn](C)(SCC(O)CO)SCC(O)CO
InChIInChI=1S/2C3H8O2S.2CH3.Sn/c2*4-1-3(5)2-6;;;/h2*3-6H,1-2H2;2*1H3;/q;;;;+2/p-2
InChIKeyZMTXELWPEWADKZ-UHFFFAOYSA-L
MW363.09 g/mol
LogP-0.14
Rot. Bonds8

About 3-[2,3-dihydroxypropylsulfanyl(dimethyl)stannyl]sulfanylpropane-1,2-diol

3-[2,3-dihydroxypropylsulfanyl(dimethyl)stannyl]sulfanylpropane-1,2-diol (PubChem CID 86008094) has the molecular formula C8H20O4S2Sn and a molecular weight of 363.09 g/mol. Its IUPAC name is 3-[2,3-dihydroxypropylsulfanyl(dimethyl)stannyl]sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-[2,3-dihydroxypropylsulfanyl(dimethyl)stannyl]sulfanylpropane-1,2-diol
PubChem CID86008094
Molecular FormulaC8H20O4S2Sn
Molecular Weight363.09 g/mol
Exact Mass363.98
IUPAC Name3-[2,3-dihydroxypropylsulfanyl(dimethyl)stannyl]sulfanylpropane-1,2-diol
SMILESC[Sn](C)(SCC(O)CO)SCC(O)CO
InChIInChI=1S/2C3H8O2S.2CH3.Sn/c2*4-1-3(5)2-6;;;/h2*3-6H,1-2H2;2*1H3;/q;;;;+2/p-2
InChIKeyZMTXELWPEWADKZ-UHFFFAOYSA-L
XLogP-0.14
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydroxypropylsulfanyl(dimethyl)stannyl]sulfanylpropane-1,2-diol?
The IUPAC name of 3-[2,3-dihydroxypropylsulfanyl(dimethyl)stannyl]sulfanylpropane-1,2-diol (CID 86008094) is 3-[2,3-dihydroxypropylsulfanyl(dimethyl)stannyl]sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-[2,3-dihydroxypropylsulfanyl(dimethyl)stannyl]sulfanylpropane-1,2-diol?
The canonical SMILES for 3-[2,3-dihydroxypropylsulfanyl(dimethyl)stannyl]sulfanylpropane-1,2-diol is C[Sn](C)(SCC(O)CO)SCC(O)CO.
What is the InChIKey of 3-[2,3-dihydroxypropylsulfanyl(dimethyl)stannyl]sulfanylpropane-1,2-diol?
The InChIKey is ZMTXELWPEWADKZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H8O2S.2CH3.Sn/c2*4-1-3(5)2-6;;;/h2*3-6H,1-2H2;2*1H3;/q;;;;+2/p-2.
What are the key properties of 3-[2,3-dihydroxypropylsulfanyl(dimethyl)stannyl]sulfanylpropane-1,2-diol?
3-[2,3-dihydroxypropylsulfanyl(dimethyl)stannyl]sulfanylpropane-1,2-diol has a molecular weight of 363.09 g/mol, XLogP of -0.14, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydroxypropylsulfanyl(dimethyl)stannyl]sulfanylpropane-1,2-diol is sourced from PubChem (CID 86008094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).