quinazoline-8-sulfinic acid

C8H6N2O2S — CID 57009090

IUPACquinazoline-8-sulfinic acid
SMILESO=S(O)c1cccc2cncnc12
InChIInChI=1S/C8H6N2O2S/c11-13(12)7-3-1-2-6-4-9-5-10-8(6)7/h1-5H,(H,11,12)
InChIKeyYFNKWXRTNGVBNE-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.21
Rot. Bonds1

About quinazoline-8-sulfinic acid

quinazoline-8-sulfinic acid (PubChem CID 57009090) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is quinazoline-8-sulfinic acid.

Molecular Properties

Compound Namequinazoline-8-sulfinic acid
PubChem CID57009090
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Namequinazoline-8-sulfinic acid
SMILESO=S(O)c1cccc2cncnc12
InChIInChI=1S/C8H6N2O2S/c11-13(12)7-3-1-2-6-4-9-5-10-8(6)7/h1-5H,(H,11,12)
InChIKeyYFNKWXRTNGVBNE-UHFFFAOYSA-N
XLogP1.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,6-naphthyridine-8-sulfinic acid
CID 67246302
1-quinazolin-8-ylethanone
CID 133054945
quinazoline-8-sulfonamide
CID 141414949
hydron;quinazolin-8-yl acetate
CID 174628972
pyrido[3,2-h]quinazoline
CID 55297723
N-(quinazolin-8-ylmethylidene)hydroxylamine
CID 174842521
8-(disulfanyl)quinazoline
CID 90111320
1H-indazole-7-sulfinic acid
CID 67247251
benzene-1,2-disulfinic acid
CID 19813698
difluoro-methyl-quinazolin-8-yl-λ4-sulfane
CID 170784627
8-pyrrolidin-1-ylquinazoline
CID 66725106
N-(2,2,2-trifluoroethyl)quinazoline-8-carboxamide
CID 175774324

Frequently Asked Questions

What is the IUPAC name of quinazoline-8-sulfinic acid?
The IUPAC name of quinazoline-8-sulfinic acid (CID 57009090) is quinazoline-8-sulfinic acid.
What is the SMILES notation for quinazoline-8-sulfinic acid?
The canonical SMILES for quinazoline-8-sulfinic acid is O=S(O)c1cccc2cncnc12.
What is the InChIKey of quinazoline-8-sulfinic acid?
The InChIKey is YFNKWXRTNGVBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c11-13(12)7-3-1-2-6-4-9-5-10-8(6)7/h1-5H,(H,11,12).
What are the key properties of quinazoline-8-sulfinic acid?
quinazoline-8-sulfinic acid has a molecular weight of 194.22 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinazoline-8-sulfinic acid is sourced from PubChem (CID 57009090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).