CID 151944912

H3NO7S3 — CID 151944912

IUPAC—
SMILESNS(=O)(=O)S(=O)(=O)S(=O)(=O)O
InChIInChI=1S/H3NO7S3/c1-9(2,3)11(7,8)10(4,5)6/h(H2,1,2,3)(H,4,5,6)
InChIKeyTVLHFIJVSOBMIV-UHFFFAOYSA-N
MW225.22 g/mol
LogP-2.59
Rot. Bonds2

About CID 151944912

CID 151944912 (PubChem CID 151944912) has the molecular formula H3NO7S3 and a molecular weight of 225.22 g/mol.

Molecular Properties

Compound NameCID 151944912
PubChem CID151944912
Molecular FormulaH3NO7S3
Molecular Weight225.22 g/mol
Exact Mass224.91
IUPAC Name—
SMILESNS(=O)(=O)S(=O)(=O)S(=O)(=O)O
InChIInChI=1S/H3NO7S3/c1-9(2,3)11(7,8)10(4,5)6/h(H2,1,2,3)(H,4,5,6)
InChIKeyTVLHFIJVSOBMIV-UHFFFAOYSA-N
XLogP-2.59
TPSA148.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 5-2.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 151944912?
The IUPAC name of CID 151944912 (CID 151944912) is not available.
What is the SMILES notation for CID 151944912?
The canonical SMILES for CID 151944912 is NS(=O)(=O)S(=O)(=O)S(=O)(=O)O.
What is the InChIKey of CID 151944912?
The InChIKey is TVLHFIJVSOBMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/H3NO7S3/c1-9(2,3)11(7,8)10(4,5)6/h(H2,1,2,3)(H,4,5,6).
What are the key properties of CID 151944912?
CID 151944912 has a molecular weight of 225.22 g/mol, XLogP of -2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 151944912 is sourced from PubChem (CID 151944912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).