CID 173322733

H2ClN6O3S- — CID 173322733

IUPAC—
SMILESO=S(=O)(O)Cl.[N-]=[N+]=N.[N-]=[N+]=[N-]
InChIInChI=1S/ClHO3S.HN3.N3/c1-5(2,3)4;2*1-3-2/h(H,2,3,4);1H;/q;;-1
InChIKeyFYVFCVJASLXANP-UHFFFAOYSA-N
MW201.58 g/mol
LogP1.77
Rot. Bonds

About CID 173322733

CID 173322733 (PubChem CID 173322733) has the molecular formula H2ClN6O3S- and a molecular weight of 201.58 g/mol.

Molecular Properties

Compound NameCID 173322733
PubChem CID173322733
Molecular FormulaH2ClN6O3S-
Molecular Weight201.58 g/mol
Exact Mass200.96
IUPAC Name—
SMILESO=S(=O)(O)Cl.[N-]=[N+]=N.[N-]=[N+]=[N-]
InChIInChI=1S/ClHO3S.HN3.N3/c1-5(2,3)4;2*1-3-2/h(H,2,3,4);1H;/q;;-1
InChIKeyFYVFCVJASLXANP-UHFFFAOYSA-N
XLogP1.77
TPSA173.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.58
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173322733?
The IUPAC name of CID 173322733 (CID 173322733) is not available.
What is the SMILES notation for CID 173322733?
The canonical SMILES for CID 173322733 is O=S(=O)(O)Cl.[N-]=[N+]=N.[N-]=[N+]=[N-].
What is the InChIKey of CID 173322733?
The InChIKey is FYVFCVJASLXANP-UHFFFAOYSA-N. The full InChI is InChI=1S/ClHO3S.HN3.N3/c1-5(2,3)4;2*1-3-2/h(H,2,3,4);1H;/q;;-1.
What are the key properties of CID 173322733?
CID 173322733 has a molecular weight of 201.58 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173322733 is sourced from PubChem (CID 173322733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).