8-ethylsulfanylquinoline

C11H11NS — CID 685505

IUPAC8-ethylsulfanylquinoline
SMILESCCSc1cccc2cccnc12
InChIInChI=1S/C11H11NS/c1-2-13-10-7-3-5-9-6-4-8-12-11(9)10/h3-8H,2H2,1H3
InChIKeyWVSRQZPWBKVFCQ-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.35
Rot. Bonds2

About 8-ethylsulfanylquinoline

8-ethylsulfanylquinoline (PubChem CID 685505) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 8-ethylsulfanylquinoline.

Molecular Properties

Compound Name8-ethylsulfanylquinoline
PubChem CID685505
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name8-ethylsulfanylquinoline
SMILESCCSc1cccc2cccnc12
InChIInChI=1S/C11H11NS/c1-2-13-10-7-3-5-9-6-4-8-12-11(9)10/h3-8H,2H2,1H3
InChIKeyWVSRQZPWBKVFCQ-UHFFFAOYSA-N
XLogP3.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfanylquinoline?
The IUPAC name of 8-ethylsulfanylquinoline (CID 685505) is 8-ethylsulfanylquinoline.
What is the SMILES notation for 8-ethylsulfanylquinoline?
The canonical SMILES for 8-ethylsulfanylquinoline is CCSc1cccc2cccnc12.
What is the InChIKey of 8-ethylsulfanylquinoline?
The InChIKey is WVSRQZPWBKVFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-2-13-10-7-3-5-9-6-4-8-12-11(9)10/h3-8H,2H2,1H3.
What are the key properties of 8-ethylsulfanylquinoline?
8-ethylsulfanylquinoline has a molecular weight of 189.28 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfanylquinoline is sourced from PubChem (CID 685505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).