2-chloro-4-ethylsulfanyl-1-methylbenzene

C9H11ClS — CID 55269938

IUPAC2-chloro-4-ethylsulfanyl-1-methylbenzene
SMILESCCSc1ccc(C)c(Cl)c1
InChIInChI=1S/C9H11ClS/c1-3-11-8-5-4-7(2)9(10)6-8/h4-6H,3H2,1-2H3
InChIKeyUERFQKNJDKAHOM-UHFFFAOYSA-N
MW186.71 g/mol
LogP3.76
Rot. Bonds2

About 2-chloro-4-ethylsulfanyl-1-methylbenzene

2-chloro-4-ethylsulfanyl-1-methylbenzene (PubChem CID 55269938) has the molecular formula C9H11ClS and a molecular weight of 186.71 g/mol. Its IUPAC name is 2-chloro-4-ethylsulfanyl-1-methylbenzene.

Molecular Properties

Compound Name2-chloro-4-ethylsulfanyl-1-methylbenzene
PubChem CID55269938
Molecular FormulaC9H11ClS
Molecular Weight186.71 g/mol
Exact Mass186.03
IUPAC Name2-chloro-4-ethylsulfanyl-1-methylbenzene
SMILESCCSc1ccc(C)c(Cl)c1
InChIInChI=1S/C9H11ClS/c1-3-11-8-5-4-7(2)9(10)6-8/h4-6H,3H2,1-2H3
InChIKeyUERFQKNJDKAHOM-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.71
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethylsulfanyl-1-methylbenzene?
The IUPAC name of 2-chloro-4-ethylsulfanyl-1-methylbenzene (CID 55269938) is 2-chloro-4-ethylsulfanyl-1-methylbenzene.
What is the SMILES notation for 2-chloro-4-ethylsulfanyl-1-methylbenzene?
The canonical SMILES for 2-chloro-4-ethylsulfanyl-1-methylbenzene is CCSc1ccc(C)c(Cl)c1.
What is the InChIKey of 2-chloro-4-ethylsulfanyl-1-methylbenzene?
The InChIKey is UERFQKNJDKAHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClS/c1-3-11-8-5-4-7(2)9(10)6-8/h4-6H,3H2,1-2H3.
What are the key properties of 2-chloro-4-ethylsulfanyl-1-methylbenzene?
2-chloro-4-ethylsulfanyl-1-methylbenzene has a molecular weight of 186.71 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethylsulfanyl-1-methylbenzene is sourced from PubChem (CID 55269938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).