5-(methylsulfanylmethyl)quinolin-8-ol

C11H11NOS — CID 58730254

IUPAC5-(methylsulfanylmethyl)quinolin-8-ol
SMILESCSCc1ccc(O)c2ncccc12
InChIInChI=1S/C11H11NOS/c1-14-7-8-4-5-10(13)11-9(8)3-2-6-12-11/h2-6,13H,7H2,1H3
InChIKeyRRWMKDIRWQTCEW-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.80
Rot. Bonds2

About 5-(methylsulfanylmethyl)quinolin-8-ol

5-(methylsulfanylmethyl)quinolin-8-ol (PubChem CID 58730254) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 5-(methylsulfanylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-(methylsulfanylmethyl)quinolin-8-ol
PubChem CID58730254
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name5-(methylsulfanylmethyl)quinolin-8-ol
SMILESCSCc1ccc(O)c2ncccc12
InChIInChI=1S/C11H11NOS/c1-14-7-8-4-5-10(13)11-9(8)3-2-6-12-11/h2-6,13H,7H2,1H3
InChIKeyRRWMKDIRWQTCEW-UHFFFAOYSA-N
XLogP2.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfanylmethyl)quinolin-8-ol?
The IUPAC name of 5-(methylsulfanylmethyl)quinolin-8-ol (CID 58730254) is 5-(methylsulfanylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-(methylsulfanylmethyl)quinolin-8-ol?
The canonical SMILES for 5-(methylsulfanylmethyl)quinolin-8-ol is CSCc1ccc(O)c2ncccc12.
What is the InChIKey of 5-(methylsulfanylmethyl)quinolin-8-ol?
The InChIKey is RRWMKDIRWQTCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-14-7-8-4-5-10(13)11-9(8)3-2-6-12-11/h2-6,13H,7H2,1H3.
What are the key properties of 5-(methylsulfanylmethyl)quinolin-8-ol?
5-(methylsulfanylmethyl)quinolin-8-ol has a molecular weight of 205.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfanylmethyl)quinolin-8-ol is sourced from PubChem (CID 58730254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).