5-methylsulfanyl-1-(methylsulfanylmethyl)-3,4-dihydroquinolin-2-one

C12H15NOS2 — CID 146510351

IUPAC5-methylsulfanyl-1-(methylsulfanylmethyl)-3,4-dihydroquinolin-2-one
SMILESCSCN1C(=O)CCc2c(SC)cccc21
InChIInChI=1S/C12H15NOS2/c1-15-8-13-10-4-3-5-11(16-2)9(10)6-7-12(13)14/h3-5H,6-8H2,1-2H3
InChIKeyFSZVAIYEBLVFME-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.01
Rot. Bonds3

About 5-methylsulfanyl-1-(methylsulfanylmethyl)-3,4-dihydroquinolin-2-one

5-methylsulfanyl-1-(methylsulfanylmethyl)-3,4-dihydroquinolin-2-one (PubChem CID 146510351) has the molecular formula C12H15NOS2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-methylsulfanyl-1-(methylsulfanylmethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-methylsulfanyl-1-(methylsulfanylmethyl)-3,4-dihydroquinolin-2-one
PubChem CID146510351
Molecular FormulaC12H15NOS2
Molecular Weight253.39 g/mol
Exact Mass253.06
IUPAC Name5-methylsulfanyl-1-(methylsulfanylmethyl)-3,4-dihydroquinolin-2-one
SMILESCSCN1C(=O)CCc2c(SC)cccc21
InChIInChI=1S/C12H15NOS2/c1-15-8-13-10-4-3-5-11(16-2)9(10)6-7-12(13)14/h3-5H,6-8H2,1-2H3
InChIKeyFSZVAIYEBLVFME-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1-(methylsulfanylmethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-methylsulfanyl-1-(methylsulfanylmethyl)-3,4-dihydroquinolin-2-one (CID 146510351) is 5-methylsulfanyl-1-(methylsulfanylmethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-methylsulfanyl-1-(methylsulfanylmethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-methylsulfanyl-1-(methylsulfanylmethyl)-3,4-dihydroquinolin-2-one is CSCN1C(=O)CCc2c(SC)cccc21.
What is the InChIKey of 5-methylsulfanyl-1-(methylsulfanylmethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is FSZVAIYEBLVFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS2/c1-15-8-13-10-4-3-5-11(16-2)9(10)6-7-12(13)14/h3-5H,6-8H2,1-2H3.
What are the key properties of 5-methylsulfanyl-1-(methylsulfanylmethyl)-3,4-dihydroquinolin-2-one?
5-methylsulfanyl-1-(methylsulfanylmethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 253.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1-(methylsulfanylmethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 146510351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).