(4-methylquinolin-6-yl)methanesulfinate

C11H10NO2S- — CID 174719055

IUPAC(4-methylquinolin-6-yl)methanesulfinate
SMILESCc1ccnc2ccc(CS(=O)[O-])cc12
InChIInChI=1S/C11H11NO2S/c1-8-4-5-12-11-3-2-9(6-10(8)11)7-15(13)14/h2-6H,7H2,1H3,(H,13,14)/p-1
InChIKeyGDBLOJXULZSHEA-UHFFFAOYSA-M
MW220.27 g/mol
LogP1.92
Rot. Bonds2

About (4-methylquinolin-6-yl)methanesulfinate

(4-methylquinolin-6-yl)methanesulfinate (PubChem CID 174719055) has the molecular formula C11H10NO2S- and a molecular weight of 220.27 g/mol. Its IUPAC name is (4-methylquinolin-6-yl)methanesulfinate.

Molecular Properties

Compound Name(4-methylquinolin-6-yl)methanesulfinate
PubChem CID174719055
Molecular FormulaC11H10NO2S-
Molecular Weight220.27 g/mol
Exact Mass220.04
IUPAC Name(4-methylquinolin-6-yl)methanesulfinate
SMILESCc1ccnc2ccc(CS(=O)[O-])cc12
InChIInChI=1S/C11H11NO2S/c1-8-4-5-12-11-3-2-9(6-10(8)11)7-15(13)14/h2-6H,7H2,1H3,(H,13,14)/p-1
InChIKeyGDBLOJXULZSHEA-UHFFFAOYSA-M
XLogP1.92
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
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 (4-methylquinolin-6-yl)methanesulfinate?
The IUPAC name of (4-methylquinolin-6-yl)methanesulfinate (CID 174719055) is (4-methylquinolin-6-yl)methanesulfinate.
What is the SMILES notation for (4-methylquinolin-6-yl)methanesulfinate?
The canonical SMILES for (4-methylquinolin-6-yl)methanesulfinate is Cc1ccnc2ccc(CS(=O)[O-])cc12.
What is the InChIKey of (4-methylquinolin-6-yl)methanesulfinate?
The InChIKey is GDBLOJXULZSHEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11NO2S/c1-8-4-5-12-11-3-2-9(6-10(8)11)7-15(13)14/h2-6H,7H2,1H3,(H,13,14)/p-1.
What are the key properties of (4-methylquinolin-6-yl)methanesulfinate?
(4-methylquinolin-6-yl)methanesulfinate has a molecular weight of 220.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylquinolin-6-yl)methanesulfinate is sourced from PubChem (CID 174719055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).