CID 173435049

N2O7S3 — CID 173435049

IUPAC—
SMILESN#[N+]S(=O)(=O)S(=O)(=O)S(=O)(=O)[O-]
InChIInChI=1S/N2O7S3/c1-2-10(3,4)12(8,9)11(5,6)7
InChIKeyUGKMPWSDNLMUNS-UHFFFAOYSA-N
MW236.21 g/mol
LogP-2.04
Rot. Bonds2

About CID 173435049

CID 173435049 (PubChem CID 173435049) has the molecular formula N2O7S3 and a molecular weight of 236.21 g/mol.

Molecular Properties

Compound NameCID 173435049
PubChem CID173435049
Molecular FormulaN2O7S3
Molecular Weight236.21 g/mol
Exact Mass235.89
IUPAC Name—
SMILESN#[N+]S(=O)(=O)S(=O)(=O)S(=O)(=O)[O-]
InChIInChI=1S/N2O7S3/c1-2-10(3,4)12(8,9)11(5,6)7
InChIKeyUGKMPWSDNLMUNS-UHFFFAOYSA-N
XLogP-2.04
TPSA153.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 5-2.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

CID 22569114
CID 22569114
CID 150813176
CID 150813176
CID 153945774
CID 153945774

Frequently Asked Questions

What is the IUPAC name of CID 173435049?
The IUPAC name of CID 173435049 (CID 173435049) is not available.
What is the SMILES notation for CID 173435049?
The canonical SMILES for CID 173435049 is N#[N+]S(=O)(=O)S(=O)(=O)S(=O)(=O)[O-].
What is the InChIKey of CID 173435049?
The InChIKey is UGKMPWSDNLMUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/N2O7S3/c1-2-10(3,4)12(8,9)11(5,6)7.
What are the key properties of CID 173435049?
CID 173435049 has a molecular weight of 236.21 g/mol, XLogP of -2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173435049 is sourced from PubChem (CID 173435049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).