2-quinolin-3-ylsulfanylacetaldehyde

C11H9NOS — CID 90732729

IUPAC2-quinolin-3-ylsulfanylacetaldehyde
SMILESO=CCSc1cnc2ccccc2c1
InChIInChI=1S/C11H9NOS/c13-5-6-14-10-7-9-3-1-2-4-11(9)12-8-10/h1-5,7-8H,6H2
InChIKeyBONBPECKGXOPOG-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.53
Rot. Bonds3

About 2-quinolin-3-ylsulfanylacetaldehyde

2-quinolin-3-ylsulfanylacetaldehyde (PubChem CID 90732729) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-quinolin-3-ylsulfanylacetaldehyde.

Molecular Properties

Compound Name2-quinolin-3-ylsulfanylacetaldehyde
PubChem CID90732729
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name2-quinolin-3-ylsulfanylacetaldehyde
SMILESO=CCSc1cnc2ccccc2c1
InChIInChI=1S/C11H9NOS/c13-5-6-14-10-7-9-3-1-2-4-11(9)12-8-10/h1-5,7-8H,6H2
InChIKeyBONBPECKGXOPOG-UHFFFAOYSA-N
XLogP2.53
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butylsulfanylquinoline
CID 118174551
2-(quinolin-3-ylamino)acetaldehyde
CID 119094980
3-prop-2-enylsulfinylquinoline
CID 67352224
N-[[(E)-2-quinolin-3-ylethenyl]amino]formamide
CID 20696184
quinoline-3-carbaldehyde;quinolin-3-ylmethanol
CID 87606996
quinoline-3-sulfinamide
CID 167254753
CID 174439431
CID 174439431
3-[(Z)-2-naphthalen-2-ylethenyl]quinoline
CID 11300516
(E)-3-quinolin-3-ylprop-2-enoate
CID 6986523
3-(4-chloropentan-2-yl)quinoline
CID 64721460
3-bromoquinoline;hydrobromide
CID 70190019
1-quinolin-3-ylbut-3-en-1-ol
CID 77273716

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-3-ylsulfanylacetaldehyde?
The IUPAC name of 2-quinolin-3-ylsulfanylacetaldehyde (CID 90732729) is 2-quinolin-3-ylsulfanylacetaldehyde.
What is the SMILES notation for 2-quinolin-3-ylsulfanylacetaldehyde?
The canonical SMILES for 2-quinolin-3-ylsulfanylacetaldehyde is O=CCSc1cnc2ccccc2c1.
What is the InChIKey of 2-quinolin-3-ylsulfanylacetaldehyde?
The InChIKey is BONBPECKGXOPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c13-5-6-14-10-7-9-3-1-2-4-11(9)12-8-10/h1-5,7-8H,6H2.
What are the key properties of 2-quinolin-3-ylsulfanylacetaldehyde?
2-quinolin-3-ylsulfanylacetaldehyde has a molecular weight of 203.27 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-3-ylsulfanylacetaldehyde is sourced from PubChem (CID 90732729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).