1-chloro-2-fluoro-4-methylsulfanylbenzene

C7H6ClFS — CID 55268822

IUPAC1-chloro-2-fluoro-4-methylsulfanylbenzene
SMILESCSc1ccc(Cl)c(F)c1
InChIInChI=1S/C7H6ClFS/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKeyGCUYUCRKKIWERP-UHFFFAOYSA-N
MW176.64 g/mol
LogP3.20
Rot. Bonds1

About 1-chloro-2-fluoro-4-methylsulfanylbenzene

1-chloro-2-fluoro-4-methylsulfanylbenzene (PubChem CID 55268822) has the molecular formula C7H6ClFS and a molecular weight of 176.64 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-methylsulfanylbenzene
PubChem CID55268822
Molecular FormulaC7H6ClFS
Molecular Weight176.64 g/mol
Exact Mass175.99
IUPAC Name1-chloro-2-fluoro-4-methylsulfanylbenzene
SMILESCSc1ccc(Cl)c(F)c1
InChIInChI=1S/C7H6ClFS/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKeyGCUYUCRKKIWERP-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.64
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-methylsulfanylbenzene?
The IUPAC name of 1-chloro-2-fluoro-4-methylsulfanylbenzene (CID 55268822) is 1-chloro-2-fluoro-4-methylsulfanylbenzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-methylsulfanylbenzene?
The canonical SMILES for 1-chloro-2-fluoro-4-methylsulfanylbenzene is CSc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-chloro-2-fluoro-4-methylsulfanylbenzene?
The InChIKey is GCUYUCRKKIWERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFS/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3.
What are the key properties of 1-chloro-2-fluoro-4-methylsulfanylbenzene?
1-chloro-2-fluoro-4-methylsulfanylbenzene has a molecular weight of 176.64 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-methylsulfanylbenzene is sourced from PubChem (CID 55268822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).