(6-methylsulfanyl-3-pyridinyl)-phenylmethanone

C13H11NOS — CID 102546554

IUPAC(6-methylsulfanyl-3-pyridinyl)-phenylmethanone
SMILESCSc1ccc(C(=O)c2ccccc2)cn1
InChIInChI=1S/C13H11NOS/c1-16-12-8-7-11(9-14-12)13(15)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyQNKYCWOYMNGIAR-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.03
Rot. Bonds3

About (6-methylsulfanyl-3-pyridinyl)-phenylmethanone

(6-methylsulfanyl-3-pyridinyl)-phenylmethanone (PubChem CID 102546554) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is (6-methylsulfanyl-3-pyridinyl)-phenylmethanone.

Molecular Properties

Compound Name(6-methylsulfanyl-3-pyridinyl)-phenylmethanone
PubChem CID102546554
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name(6-methylsulfanyl-3-pyridinyl)-phenylmethanone
SMILESCSc1ccc(C(=O)c2ccccc2)cn1
InChIInChI=1S/C13H11NOS/c1-16-12-8-7-11(9-14-12)13(15)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyQNKYCWOYMNGIAR-UHFFFAOYSA-N
XLogP3.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-benzylsulfanyl-3-pyridinyl)-phenylmethanone
CID 102546721
methyl 6-methylsulfanylpyridine-3-carboxylate
CID 901959
5-benzoylpyridine-2-carboxylic acid
CID 165358123
phenyl-(6-phenyl-3-pyridinyl)methanone
CID 10890606
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
(6-methyl-3-pyridinyl)-(4-phenylphenyl)methanone
CID 105103376
N-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide
CID 110929877
(6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 142545270
diphenylmethanone;gold
CID 174931146
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779

Frequently Asked Questions

What is the IUPAC name of (6-methylsulfanyl-3-pyridinyl)-phenylmethanone?
The IUPAC name of (6-methylsulfanyl-3-pyridinyl)-phenylmethanone (CID 102546554) is (6-methylsulfanyl-3-pyridinyl)-phenylmethanone.
What is the SMILES notation for (6-methylsulfanyl-3-pyridinyl)-phenylmethanone?
The canonical SMILES for (6-methylsulfanyl-3-pyridinyl)-phenylmethanone is CSc1ccc(C(=O)c2ccccc2)cn1.
What is the InChIKey of (6-methylsulfanyl-3-pyridinyl)-phenylmethanone?
The InChIKey is QNKYCWOYMNGIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c1-16-12-8-7-11(9-14-12)13(15)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of (6-methylsulfanyl-3-pyridinyl)-phenylmethanone?
(6-methylsulfanyl-3-pyridinyl)-phenylmethanone has a molecular weight of 229.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylsulfanyl-3-pyridinyl)-phenylmethanone is sourced from PubChem (CID 102546554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).