quinazoline-7-sulfinate

C8H5N2O2S- — CID 67247781

IUPACquinazoline-7-sulfinate
SMILESO=S([O-])c1ccc2cncnc2c1
InChIInChI=1S/C8H6N2O2S/c11-13(12)7-2-1-6-4-9-5-10-8(6)3-7/h1-5H,(H,11,12)/p-1
InChIKeyULIKUKDBAZPWMY-UHFFFAOYSA-M
MW193.21 g/mol
LogP0.87
Rot. Bonds1

About quinazoline-7-sulfinate

quinazoline-7-sulfinate (PubChem CID 67247781) has the molecular formula C8H5N2O2S- and a molecular weight of 193.21 g/mol. Its IUPAC name is quinazoline-7-sulfinate.

Molecular Properties

Compound Namequinazoline-7-sulfinate
PubChem CID67247781
Molecular FormulaC8H5N2O2S-
Molecular Weight193.21 g/mol
Exact Mass193.01
IUPAC Namequinazoline-7-sulfinate
SMILESO=S([O-])c1ccc2cncnc2c1
InChIInChI=1S/C8H6N2O2S/c11-13(12)7-2-1-6-4-9-5-10-8(6)3-7/h1-5H,(H,11,12)/p-1
InChIKeyULIKUKDBAZPWMY-UHFFFAOYSA-M
XLogP0.87
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 quinazoline-7-sulfinate?
The IUPAC name of quinazoline-7-sulfinate (CID 67247781) is quinazoline-7-sulfinate.
What is the SMILES notation for quinazoline-7-sulfinate?
The canonical SMILES for quinazoline-7-sulfinate is O=S([O-])c1ccc2cncnc2c1.
What is the InChIKey of quinazoline-7-sulfinate?
The InChIKey is ULIKUKDBAZPWMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6N2O2S/c11-13(12)7-2-1-6-4-9-5-10-8(6)3-7/h1-5H,(H,11,12)/p-1.
What are the key properties of quinazoline-7-sulfinate?
quinazoline-7-sulfinate has a molecular weight of 193.21 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinazoline-7-sulfinate is sourced from PubChem (CID 67247781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).