CID 173398738

H3N6O4S2-3 — CID 173398738

IUPAC—
SMILESO=[SH-]=O.O=[SH-]=O.[N-]=[N+]=N.[N-]=[N+]=[N-]
InChIInChI=1S/HN3.N3.2HO2S/c4*1-3-2/h1H;;2*3H/q;3*-1
InChIKeyABVOWIFQMUPLKF-UHFFFAOYSA-N
MW215.20 g/mol
LogP0.73
Rot. Bonds

About CID 173398738

CID 173398738 (PubChem CID 173398738) has the molecular formula H3N6O4S2-3 and a molecular weight of 215.20 g/mol.

Molecular Properties

Compound NameCID 173398738
PubChem CID173398738
Molecular FormulaH3N6O4S2-3
Molecular Weight215.20 g/mol
Exact Mass214.97
IUPAC Name—
SMILESO=[SH-]=O.O=[SH-]=O.[N-]=[N+]=N.[N-]=[N+]=[N-]
InChIInChI=1S/HN3.N3.2HO2S/c4*1-3-2/h1H;;2*3H/q;3*-1
InChIKeyABVOWIFQMUPLKF-UHFFFAOYSA-N
XLogP0.73
TPSA187.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

CID 150320751
CID 150320751
CID 151090651
CID 151090651
CID 173388067
CID 173388067
sulfamoyl N-iminosulfamate
CID 173509074

Frequently Asked Questions

What is the IUPAC name of CID 173398738?
The IUPAC name of CID 173398738 (CID 173398738) is not available.
What is the SMILES notation for CID 173398738?
The canonical SMILES for CID 173398738 is O=[SH-]=O.O=[SH-]=O.[N-]=[N+]=N.[N-]=[N+]=[N-].
What is the InChIKey of CID 173398738?
The InChIKey is ABVOWIFQMUPLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/HN3.N3.2HO2S/c4*1-3-2/h1H;;2*3H/q;3*-1.
What are the key properties of CID 173398738?
CID 173398738 has a molecular weight of 215.20 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173398738 is sourced from PubChem (CID 173398738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).