1-chloro-3-(4-fluorophenyl)sulfanyl-5-methylbenzene

C13H10ClFS — CID 71747809

IUPAC1-chloro-3-(4-fluorophenyl)sulfanyl-5-methylbenzene
SMILESCc1cc(Cl)cc(Sc2ccc(F)cc2)c1
InChIInChI=1S/C13H10ClFS/c1-9-6-10(14)8-13(7-9)16-12-4-2-11(15)3-5-12/h2-8H,1H3
InChIKeyVYMNAIDZFIEFJX-UHFFFAOYSA-N
MW252.74 g/mol
LogP4.94
Rot. Bonds2

About 1-chloro-3-(4-fluorophenyl)sulfanyl-5-methylbenzene

1-chloro-3-(4-fluorophenyl)sulfanyl-5-methylbenzene (PubChem CID 71747809) has the molecular formula C13H10ClFS and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-chloro-3-(4-fluorophenyl)sulfanyl-5-methylbenzene.

Molecular Properties

Compound Name1-chloro-3-(4-fluorophenyl)sulfanyl-5-methylbenzene
PubChem CID71747809
Molecular FormulaC13H10ClFS
Molecular Weight252.74 g/mol
Exact Mass252.02
IUPAC Name1-chloro-3-(4-fluorophenyl)sulfanyl-5-methylbenzene
SMILESCc1cc(Cl)cc(Sc2ccc(F)cc2)c1
InChIInChI=1S/C13H10ClFS/c1-9-6-10(14)8-13(7-9)16-12-4-2-11(15)3-5-12/h2-8H,1H3
InChIKeyVYMNAIDZFIEFJX-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-fluorophenyl)sulfanyl-5-methylbenzene?
The IUPAC name of 1-chloro-3-(4-fluorophenyl)sulfanyl-5-methylbenzene (CID 71747809) is 1-chloro-3-(4-fluorophenyl)sulfanyl-5-methylbenzene.
What is the SMILES notation for 1-chloro-3-(4-fluorophenyl)sulfanyl-5-methylbenzene?
The canonical SMILES for 1-chloro-3-(4-fluorophenyl)sulfanyl-5-methylbenzene is Cc1cc(Cl)cc(Sc2ccc(F)cc2)c1.
What is the InChIKey of 1-chloro-3-(4-fluorophenyl)sulfanyl-5-methylbenzene?
The InChIKey is VYMNAIDZFIEFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFS/c1-9-6-10(14)8-13(7-9)16-12-4-2-11(15)3-5-12/h2-8H,1H3.
What are the key properties of 1-chloro-3-(4-fluorophenyl)sulfanyl-5-methylbenzene?
1-chloro-3-(4-fluorophenyl)sulfanyl-5-methylbenzene has a molecular weight of 252.74 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-fluorophenyl)sulfanyl-5-methylbenzene is sourced from PubChem (CID 71747809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).