CID 5359625

C2H5O4S — CID 5359625

IUPAC—
SMILES[O]S(=O)(=O)CCO
InChIInChI=1S/C2H5O4S/c3-1-2-7(4,5)6/h3H,1-2H2
InChIKeyFKERXCZRPIATOS-UHFFFAOYSA-N
MW125.12 g/mol
LogP-1.26
Rot. Bonds2

About CID 5359625

CID 5359625 (PubChem CID 5359625) has the molecular formula C2H5O4S and a molecular weight of 125.12 g/mol.

Molecular Properties

Compound NameCID 5359625
PubChem CID5359625
Molecular FormulaC2H5O4S
Molecular Weight125.12 g/mol
Exact Mass124.99
IUPAC Name—
SMILES[O]S(=O)(=O)CCO
InChIInChI=1S/C2H5O4S/c3-1-2-7(4,5)6/h3H,1-2H2
InChIKeyFKERXCZRPIATOS-UHFFFAOYSA-N
XLogP-1.26
TPSA74.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 5359625?
The IUPAC name of CID 5359625 (CID 5359625) is not available.
What is the SMILES notation for CID 5359625?
The canonical SMILES for CID 5359625 is [O]S(=O)(=O)CCO.
What is the InChIKey of CID 5359625?
The InChIKey is FKERXCZRPIATOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O4S/c3-1-2-7(4,5)6/h3H,1-2H2.
What are the key properties of CID 5359625?
CID 5359625 has a molecular weight of 125.12 g/mol, XLogP of -1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5359625 is sourced from PubChem (CID 5359625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).