CID 173461902

H4O12S4V — CID 173461902

IUPAC—
SMILESO=[S-](=O)O.O=[S-](=O)O.O=[S-](=O)O.O=[S-](=O)O.[V+4]
InChIInChI=1S/4HO3S.V/c4*1-4(2)3;/h4*(H,1,2,3);/q4*-1;+4
InChIKeyFQJALFCEXBXIQP-UHFFFAOYSA-N
MW375.23 g/mol
LogP-0.93
Rot. Bonds

About CID 173461902

CID 173461902 (PubChem CID 173461902) has the molecular formula H4O12S4V and a molecular weight of 375.23 g/mol.

Molecular Properties

Compound NameCID 173461902
PubChem CID173461902
Molecular FormulaH4O12S4V
Molecular Weight375.23 g/mol
Exact Mass374.80
IUPAC Name—
SMILESO=[S-](=O)O.O=[S-](=O)O.O=[S-](=O)O.O=[S-](=O)O.[V+4]
InChIInChI=1S/4HO3S.V/c4*1-4(2)3;/h4*(H,1,2,3);/q4*-1;+4
InChIKeyFQJALFCEXBXIQP-UHFFFAOYSA-N
XLogP-0.93
TPSA217.48 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.23
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173461902?
The IUPAC name of CID 173461902 (CID 173461902) is not available.
What is the SMILES notation for CID 173461902?
The canonical SMILES for CID 173461902 is O=[S-](=O)O.O=[S-](=O)O.O=[S-](=O)O.O=[S-](=O)O.[V+4].
What is the InChIKey of CID 173461902?
The InChIKey is FQJALFCEXBXIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/4HO3S.V/c4*1-4(2)3;/h4*(H,1,2,3);/q4*-1;+4.
What are the key properties of CID 173461902?
CID 173461902 has a molecular weight of 375.23 g/mol, XLogP of -0.93, 0 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173461902 is sourced from PubChem (CID 173461902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).