CID 175204372

C7H9N2O2S- — CID 175204372

IUPAC—
SMILESNS(=O)[O-].c1cc2cc(c1)NC2
InChIInChI=1S/C7H7N.H3NO2S/c1-2-6-4-7(3-1)8-5-6;1-4(2)3/h1-4,8H,5H2;1H2,(H,2,3)/p-1
InChIKeyHGBYBRIHMAVNMY-UHFFFAOYSA-M
MW185.23 g/mol
LogP0.35
Rot. Bonds

About CID 175204372

CID 175204372 (PubChem CID 175204372) has the molecular formula C7H9N2O2S- and a molecular weight of 185.23 g/mol.

Molecular Properties

Compound NameCID 175204372
PubChem CID175204372
Molecular FormulaC7H9N2O2S-
Molecular Weight185.23 g/mol
Exact Mass185.04
IUPAC Name—
SMILESNS(=O)[O-].c1cc2cc(c1)NC2
InChIInChI=1S/C7H7N.H3NO2S/c1-2-6-4-7(3-1)8-5-6;1-4(2)3/h1-4,8H,5H2;1H2,(H,2,3)/p-1
InChIKeyHGBYBRIHMAVNMY-UHFFFAOYSA-M
XLogP0.35
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175204372?
The IUPAC name of CID 175204372 (CID 175204372) is not available.
What is the SMILES notation for CID 175204372?
The canonical SMILES for CID 175204372 is NS(=O)[O-].c1cc2cc(c1)NC2.
What is the InChIKey of CID 175204372?
The InChIKey is HGBYBRIHMAVNMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7N.H3NO2S/c1-2-6-4-7(3-1)8-5-6;1-4(2)3/h1-4,8H,5H2;1H2,(H,2,3)/p-1.
What are the key properties of CID 175204372?
CID 175204372 has a molecular weight of 185.23 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175204372 is sourced from PubChem (CID 175204372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).