3-methylsulfanyloxyquinoline

C10H9NOS — CID 174462861

IUPAC3-methylsulfanyloxyquinoline
SMILESCSOc1cnc2ccccc2c1
InChIInChI=1S/C10H9NOS/c1-13-12-9-6-8-4-2-3-5-10(8)11-7-9/h2-7H,1H3
InChIKeyROSNXRIVIDZDPE-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.89
Rot. Bonds2

About 3-methylsulfanyloxyquinoline

3-methylsulfanyloxyquinoline (PubChem CID 174462861) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-methylsulfanyloxyquinoline.

Molecular Properties

Compound Name3-methylsulfanyloxyquinoline
PubChem CID174462861
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name3-methylsulfanyloxyquinoline
SMILESCSOc1cnc2ccccc2c1
InChIInChI=1S/C10H9NOS/c1-13-12-9-6-8-4-2-3-5-10(8)11-7-9/h2-7H,1H3
InChIKeyROSNXRIVIDZDPE-UHFFFAOYSA-N
XLogP2.89
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethoxy)quinoline
CID 54277099
3-(3-ethylsulfanylpropoxy)quinoline
CID 102847017
2-quinolin-3-yloxyethanol
CID 102847036
2-quinolin-3-yloxyethanamine
CID 84661473
quinolin-3-yl 2,2,2-trifluoroacetate
CID 70210319
3-(2,3-dimethylbutan-2-yloxy)quinoline
CID 142318662
3-(3,3,3-trifluoropropoxy)quinoline
CID 102846999
2-quinolin-3-yloxypropanenitrile
CID 107388161
3-(3-methylbut-2-enoxy)quinoline
CID 107388245
3-[4-(bromomethyl)phenoxy]quinoline
CID 107387563
2,2-dimethyl-3-quinolin-3-yloxypropane-1-thiol
CID 107388367
3-prop-2-ynoxyquinoline
CID 102847055

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyloxyquinoline?
The IUPAC name of 3-methylsulfanyloxyquinoline (CID 174462861) is 3-methylsulfanyloxyquinoline.
What is the SMILES notation for 3-methylsulfanyloxyquinoline?
The canonical SMILES for 3-methylsulfanyloxyquinoline is CSOc1cnc2ccccc2c1.
What is the InChIKey of 3-methylsulfanyloxyquinoline?
The InChIKey is ROSNXRIVIDZDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-13-12-9-6-8-4-2-3-5-10(8)11-7-9/h2-7H,1H3.
What are the key properties of 3-methylsulfanyloxyquinoline?
3-methylsulfanyloxyquinoline has a molecular weight of 191.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyloxyquinoline is sourced from PubChem (CID 174462861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).