CID 175398246

H3NO6S3 — CID 175398246

IUPAC—
SMILESNS(=O)(=O)S(=O)(=O)S(=O)O
InChIInChI=1S/H3NO6S3/c1-9(4,5)10(6,7)8(2)3/h(H,2,3)(H2,1,4,5)
InChIKeyISLMYNPIKYFWKX-UHFFFAOYSA-N
MW209.23 g/mol
LogP-2.26
Rot. Bonds2

About CID 175398246

CID 175398246 (PubChem CID 175398246) has the molecular formula H3NO6S3 and a molecular weight of 209.23 g/mol.

Molecular Properties

Compound NameCID 175398246
PubChem CID175398246
Molecular FormulaH3NO6S3
Molecular Weight209.23 g/mol
Exact Mass208.91
IUPAC Name—
SMILESNS(=O)(=O)S(=O)(=O)S(=O)O
InChIInChI=1S/H3NO6S3/c1-9(4,5)10(6,7)8(2)3/h(H,2,3)(H2,1,4,5)
InChIKeyISLMYNPIKYFWKX-UHFFFAOYSA-N
XLogP-2.26
TPSA131.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 5-2.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sulfamic acid;sulfurous acid
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sulfuric acid;sulfurous acid
CID 172712432
hydroxylamine;sulfamide
CID 174520411
CID 174708541
CID 174708541
calcium;sulfurous acid;sulfate
CID 157188643
calcium;hydride;sulfuric acid;sulfurous acid
CID 173085822
hydrogen sulfite;tantalum
CID 175264053
sulfamic acid;yttrium
CID 159754211
azane;sulfamic acid
CID 172811731

Frequently Asked Questions

What is the IUPAC name of CID 175398246?
The IUPAC name of CID 175398246 (CID 175398246) is not available.
What is the SMILES notation for CID 175398246?
The canonical SMILES for CID 175398246 is NS(=O)(=O)S(=O)(=O)S(=O)O.
What is the InChIKey of CID 175398246?
The InChIKey is ISLMYNPIKYFWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/H3NO6S3/c1-9(4,5)10(6,7)8(2)3/h(H,2,3)(H2,1,4,5).
What are the key properties of CID 175398246?
CID 175398246 has a molecular weight of 209.23 g/mol, XLogP of -2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175398246 is sourced from PubChem (CID 175398246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).