CID 20843421

C12H10NNaO2S- — CID 20843421

IUPAC—
SMILESO=C([O-])CCSc1ccc2ccccc2n1.[Na]
InChIInChI=1S/C12H11NO2S.Na/c14-12(15)7-8-16-11-6-5-9-3-1-2-4-10(9)13-11;/h1-6H,7-8H2,(H,14,15);/p-1
InChIKeySIJFVTQASFHJJS-UHFFFAOYSA-M
MW255.27 g/mol
LogP1.09
Rot. Bonds4

About CID 20843421

CID 20843421 (PubChem CID 20843421) has the molecular formula C12H10NNaO2S- and a molecular weight of 255.27 g/mol.

Molecular Properties

Compound NameCID 20843421
PubChem CID20843421
Molecular FormulaC12H10NNaO2S-
Molecular Weight255.27 g/mol
Exact Mass255.03
IUPAC Name—
SMILESO=C([O-])CCSc1ccc2ccccc2n1.[Na]
InChIInChI=1S/C12H11NO2S.Na/c14-12(15)7-8-16-11-6-5-9-3-1-2-4-10(9)13-11;/h1-6H,7-8H2,(H,14,15);/p-1
InChIKeySIJFVTQASFHJJS-UHFFFAOYSA-M
XLogP1.09
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-quinolin-2-ylsulfanylpropanoic acid
CID 661670
N-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide
CID 39765764
2-quinolin-2-ylsulfanylacetamide
CID 2056006
N-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide
CID 39765830
N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide
CID 39765768
N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide
CID 7754818
N-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide
CID 39765776
N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803
1-(3-nitrophenyl)-2-quinolin-2-ylsulfanylethanone
CID 112802330
benzyl 2-quinolin-2-ylsulfanylacetate
CID 27240915
diethyl 2-methyl-5-(3-quinolin-2-ylsulfanylpropanoylamino)furan-3,4-dicarboxylate
CID 39765919
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-quinolin-2-ylsulfanylpropanamide
CID 55482102

Frequently Asked Questions

What is the IUPAC name of CID 20843421?
The IUPAC name of CID 20843421 (CID 20843421) is not available.
What is the SMILES notation for CID 20843421?
The canonical SMILES for CID 20843421 is O=C([O-])CCSc1ccc2ccccc2n1.[Na].
What is the InChIKey of CID 20843421?
The InChIKey is SIJFVTQASFHJJS-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11NO2S.Na/c14-12(15)7-8-16-11-6-5-9-3-1-2-4-10(9)13-11;/h1-6H,7-8H2,(H,14,15);/p-1.
What are the key properties of CID 20843421?
CID 20843421 has a molecular weight of 255.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20843421 is sourced from PubChem (CID 20843421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).