2-chloro-4-(4-fluorophenyl)-1-methylsulfanylbenzene

C13H10ClFS — CID 56992942

IUPAC2-chloro-4-(4-fluorophenyl)-1-methylsulfanylbenzene
SMILESCSc1ccc(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C13H10ClFS/c1-16-13-7-4-10(8-12(13)14)9-2-5-11(15)6-3-9/h2-8H,1H3
InChIKeyZLMQREBGOLKBRR-UHFFFAOYSA-N
MW252.74 g/mol
LogP4.87
Rot. Bonds2

About 2-chloro-4-(4-fluorophenyl)-1-methylsulfanylbenzene

2-chloro-4-(4-fluorophenyl)-1-methylsulfanylbenzene (PubChem CID 56992942) has the molecular formula C13H10ClFS and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenyl)-1-methylsulfanylbenzene.

Molecular Properties

Compound Name2-chloro-4-(4-fluorophenyl)-1-methylsulfanylbenzene
PubChem CID56992942
Molecular FormulaC13H10ClFS
Molecular Weight252.74 g/mol
Exact Mass252.02
IUPAC Name2-chloro-4-(4-fluorophenyl)-1-methylsulfanylbenzene
SMILESCSc1ccc(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C13H10ClFS/c1-16-13-7-4-10(8-12(13)14)9-2-5-11(15)6-3-9/h2-8H,1H3
InChIKeyZLMQREBGOLKBRR-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenyl)-1-methylsulfanylbenzene?
The IUPAC name of 2-chloro-4-(4-fluorophenyl)-1-methylsulfanylbenzene (CID 56992942) is 2-chloro-4-(4-fluorophenyl)-1-methylsulfanylbenzene.
What is the SMILES notation for 2-chloro-4-(4-fluorophenyl)-1-methylsulfanylbenzene?
The canonical SMILES for 2-chloro-4-(4-fluorophenyl)-1-methylsulfanylbenzene is CSc1ccc(-c2ccc(F)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-(4-fluorophenyl)-1-methylsulfanylbenzene?
The InChIKey is ZLMQREBGOLKBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFS/c1-16-13-7-4-10(8-12(13)14)9-2-5-11(15)6-3-9/h2-8H,1H3.
What are the key properties of 2-chloro-4-(4-fluorophenyl)-1-methylsulfanylbenzene?
2-chloro-4-(4-fluorophenyl)-1-methylsulfanylbenzene has a molecular weight of 252.74 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluorophenyl)-1-methylsulfanylbenzene is sourced from PubChem (CID 56992942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).