2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone

C15H13FOS — CID 43802304

IUPAC2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CSc2ccc(F)cc2)c1
InChIInChI=1S/C15H13FOS/c1-11-3-2-4-12(9-11)15(17)10-18-14-7-5-13(16)6-8-14/h2-9H,10H2,1H3
InChIKeyYGZWWZCNSXEWSC-UHFFFAOYSA-N
MW260.33 g/mol
LogP4.11
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone

2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone (PubChem CID 43802304) has the molecular formula C15H13FOS and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone
PubChem CID43802304
Molecular FormulaC15H13FOS
Molecular Weight260.33 g/mol
Exact Mass260.07
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CSc2ccc(F)cc2)c1
InChIInChI=1S/C15H13FOS/c1-11-3-2-4-12(9-11)15(17)10-18-14-7-5-13(16)6-8-14/h2-9H,10H2,1H3
InChIKeyYGZWWZCNSXEWSC-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone
CID 43802265
1-(3-fluoro-5-methylphenyl)-2-phenylsulfanylethanone
CID 79704304
1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 66070340
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-methylphenyl)ethanone
CID 55058139
1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43226534
1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43226526
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone
CID 65142436
S-[2-(3-methylphenyl)-2-oxoethyl] ethanethioate
CID 143157663
2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone
CID 91880258
N-[(Z)-3-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylanilino]-1-(3-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22783639
2-[dichloro(fluoro)methyl]sulfanyl-1-(3-methylphenyl)ethanone
CID 14144959
2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone (CID 43802304) is 2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)CSc2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone?
The InChIKey is YGZWWZCNSXEWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FOS/c1-11-3-2-4-12(9-11)15(17)10-18-14-7-5-13(16)6-8-14/h2-9H,10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone?
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone has a molecular weight of 260.33 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 43802304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).