O-(2-hydroxypropanethioyl) 2-hydroxypropanethioate

C6H10O3S2 — CID 87785980

IUPACO-(2-hydroxypropanethioyl) 2-hydroxypropanethioate
SMILESCC(O)C(=S)OC(=S)C(C)O
InChIInChI=1S/C6H10O3S2/c1-3(7)5(10)9-6(11)4(2)8/h3-4,7-8H,1-2H3
InChIKeyJPZNTXWHGRKJSX-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.42
Rot. Bonds2

About O-(2-hydroxypropanethioyl) 2-hydroxypropanethioate

O-(2-hydroxypropanethioyl) 2-hydroxypropanethioate (PubChem CID 87785980) has the molecular formula C6H10O3S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is O-(2-hydroxypropanethioyl) 2-hydroxypropanethioate.

Molecular Properties

Compound NameO-(2-hydroxypropanethioyl) 2-hydroxypropanethioate
PubChem CID87785980
Molecular FormulaC6H10O3S2
Molecular Weight194.28 g/mol
Exact Mass194.01
IUPAC NameO-(2-hydroxypropanethioyl) 2-hydroxypropanethioate
SMILESCC(O)C(=S)OC(=S)C(C)O
InChIInChI=1S/C6H10O3S2/c1-3(7)5(10)9-6(11)4(2)8/h3-4,7-8H,1-2H3
InChIKeyJPZNTXWHGRKJSX-UHFFFAOYSA-N
XLogP0.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-(2-hydroxypropanethioyl) 2-hydroxypropanethioate?
The IUPAC name of O-(2-hydroxypropanethioyl) 2-hydroxypropanethioate (CID 87785980) is O-(2-hydroxypropanethioyl) 2-hydroxypropanethioate.
What is the SMILES notation for O-(2-hydroxypropanethioyl) 2-hydroxypropanethioate?
The canonical SMILES for O-(2-hydroxypropanethioyl) 2-hydroxypropanethioate is CC(O)C(=S)OC(=S)C(C)O.
What is the InChIKey of O-(2-hydroxypropanethioyl) 2-hydroxypropanethioate?
The InChIKey is JPZNTXWHGRKJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S2/c1-3(7)5(10)9-6(11)4(2)8/h3-4,7-8H,1-2H3.
What are the key properties of O-(2-hydroxypropanethioyl) 2-hydroxypropanethioate?
O-(2-hydroxypropanethioyl) 2-hydroxypropanethioate has a molecular weight of 194.28 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-hydroxypropanethioyl) 2-hydroxypropanethioate is sourced from PubChem (CID 87785980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).