CID 175427190

H3N3O4S2-2 — CID 175427190

IUPAC—
SMILESO=S([O-])NNNS(=O)[O-]
InChIInChI=1S/H5N3O4S2/c4-8(5)2-1-3-9(6)7/h1-3H,(H,4,5)(H,6,7)/p-2
InChIKeyLKEVUFACQGXIOE-UHFFFAOYSA-L
MW173.18 g/mol
LogP-2.83
Rot. Bonds4

About CID 175427190

CID 175427190 (PubChem CID 175427190) has the molecular formula H3N3O4S2-2 and a molecular weight of 173.18 g/mol.

Molecular Properties

Compound NameCID 175427190
PubChem CID175427190
Molecular FormulaH3N3O4S2-2
Molecular Weight173.18 g/mol
Exact Mass172.96
IUPAC Name—
SMILESO=S([O-])NNNS(=O)[O-]
InChIInChI=1S/H5N3O4S2/c4-8(5)2-1-3-9(6)7/h1-3H,(H,4,5)(H,6,7)/p-2
InChIKeyLKEVUFACQGXIOE-UHFFFAOYSA-L
XLogP-2.83
TPSA116.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 5-2.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175427190?
The IUPAC name of CID 175427190 (CID 175427190) is not available.
What is the SMILES notation for CID 175427190?
The canonical SMILES for CID 175427190 is O=S([O-])NNNS(=O)[O-].
What is the InChIKey of CID 175427190?
The InChIKey is LKEVUFACQGXIOE-UHFFFAOYSA-L. The full InChI is InChI=1S/H5N3O4S2/c4-8(5)2-1-3-9(6)7/h1-3H,(H,4,5)(H,6,7)/p-2.
What are the key properties of CID 175427190?
CID 175427190 has a molecular weight of 173.18 g/mol, XLogP of -2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175427190 is sourced from PubChem (CID 175427190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).