CID 21271989

H2O5S2-2 — CID 21271989

IUPAC—
SMILESO.O=S([O-])S(=O)[O-]
InChIInChI=1S/H2O4S2.H2O/c1-5(2)6(3)4;/h(H,1,2)(H,3,4);1H2/p-2
InChIKeyXTBHOIDDNZAOKU-UHFFFAOYSA-L
MW146.14 g/mol
LogP-2.17
Rot. Bonds1

About CID 21271989

CID 21271989 (PubChem CID 21271989) has the molecular formula H2O5S2-2 and a molecular weight of 146.14 g/mol.

Molecular Properties

Compound NameCID 21271989
PubChem CID21271989
Molecular FormulaH2O5S2-2
Molecular Weight146.14 g/mol
Exact Mass145.94
IUPAC Name—
SMILESO.O=S([O-])S(=O)[O-]
InChIInChI=1S/H2O4S2.H2O/c1-5(2)6(3)4;/h(H,1,2)(H,3,4);1H2/p-2
InChIKeyXTBHOIDDNZAOKU-UHFFFAOYSA-L
XLogP-2.17
TPSA111.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-2.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 21271989?
The IUPAC name of CID 21271989 (CID 21271989) is not available.
What is the SMILES notation for CID 21271989?
The canonical SMILES for CID 21271989 is O.O=S([O-])S(=O)[O-].
What is the InChIKey of CID 21271989?
The InChIKey is XTBHOIDDNZAOKU-UHFFFAOYSA-L. The full InChI is InChI=1S/H2O4S2.H2O/c1-5(2)6(3)4;/h(H,1,2)(H,3,4);1H2/p-2.
What are the key properties of CID 21271989?
CID 21271989 has a molecular weight of 146.14 g/mol, XLogP of -2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21271989 is sourced from PubChem (CID 21271989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).