ethanesulfonic acid;[1,3]thiazolo[4,5-c]quinoline

C12H12N2O3S2 — CID 3066779

IUPACethanesulfonic acid;[1,3]thiazolo[4,5-c]quinoline
SMILESCCS(=O)(=O)O.c1ccc2c(c1)ncc1ncsc12
InChIInChI=1S/C10H6N2S.C2H6O3S/c1-2-4-8-7(3-1)10-9(5-11-8)12-6-13-10;1-2-6(3,4)5/h1-6H;2H2,1H3,(H,3,4,5)
InChIKeyOSUDJKDDCBAIBJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.74
Rot. Bonds1

About ethanesulfonic acid;[1,3]thiazolo[4,5-c]quinoline

ethanesulfonic acid;[1,3]thiazolo[4,5-c]quinoline (PubChem CID 3066779) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethanesulfonic acid;[1,3]thiazolo[4,5-c]quinoline.

Molecular Properties

Compound Nameethanesulfonic acid;[1,3]thiazolo[4,5-c]quinoline
PubChem CID3066779
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Nameethanesulfonic acid;[1,3]thiazolo[4,5-c]quinoline
SMILESCCS(=O)(=O)O.c1ccc2c(c1)ncc1ncsc12
InChIInChI=1S/C10H6N2S.C2H6O3S/c1-2-4-8-7(3-1)10-9(5-11-8)12-6-13-10;1-2-6(3,4)5/h1-6H;2H2,1H3,(H,3,4,5)
InChIKeyOSUDJKDDCBAIBJ-UHFFFAOYSA-N
XLogP2.74
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethanesulfonic acid;[1,3]thiazolo[4,5-c]quinoline?
The IUPAC name of ethanesulfonic acid;[1,3]thiazolo[4,5-c]quinoline (CID 3066779) is ethanesulfonic acid;[1,3]thiazolo[4,5-c]quinoline.
What is the SMILES notation for ethanesulfonic acid;[1,3]thiazolo[4,5-c]quinoline?
The canonical SMILES for ethanesulfonic acid;[1,3]thiazolo[4,5-c]quinoline is CCS(=O)(=O)O.c1ccc2c(c1)ncc1ncsc12.
What is the InChIKey of ethanesulfonic acid;[1,3]thiazolo[4,5-c]quinoline?
The InChIKey is OSUDJKDDCBAIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2S.C2H6O3S/c1-2-4-8-7(3-1)10-9(5-11-8)12-6-13-10;1-2-6(3,4)5/h1-6H;2H2,1H3,(H,3,4,5).
What are the key properties of ethanesulfonic acid;[1,3]thiazolo[4,5-c]quinoline?
ethanesulfonic acid;[1,3]thiazolo[4,5-c]quinoline has a molecular weight of 296.37 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanesulfonic acid;[1,3]thiazolo[4,5-c]quinoline is sourced from PubChem (CID 3066779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).