2-chloro-4-ethylsulfanyl-1-iodobenzene

C8H8ClIS — CID 67280185

IUPAC2-chloro-4-ethylsulfanyl-1-iodobenzene
SMILESCCSc1ccc(I)c(Cl)c1
InChIInChI=1S/C8H8ClIS/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5H,2H2,1H3
InChIKeyVKSNRFWDQSGSJV-UHFFFAOYSA-N
MW298.58 g/mol
LogP4.06
Rot. Bonds2

About 2-chloro-4-ethylsulfanyl-1-iodobenzene

2-chloro-4-ethylsulfanyl-1-iodobenzene (PubChem CID 67280185) has the molecular formula C8H8ClIS and a molecular weight of 298.58 g/mol. Its IUPAC name is 2-chloro-4-ethylsulfanyl-1-iodobenzene.

Molecular Properties

Compound Name2-chloro-4-ethylsulfanyl-1-iodobenzene
PubChem CID67280185
Molecular FormulaC8H8ClIS
Molecular Weight298.58 g/mol
Exact Mass297.91
IUPAC Name2-chloro-4-ethylsulfanyl-1-iodobenzene
SMILESCCSc1ccc(I)c(Cl)c1
InChIInChI=1S/C8H8ClIS/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5H,2H2,1H3
InChIKeyVKSNRFWDQSGSJV-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.58
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethylsulfanyl-1-iodobenzene?
The IUPAC name of 2-chloro-4-ethylsulfanyl-1-iodobenzene (CID 67280185) is 2-chloro-4-ethylsulfanyl-1-iodobenzene.
What is the SMILES notation for 2-chloro-4-ethylsulfanyl-1-iodobenzene?
The canonical SMILES for 2-chloro-4-ethylsulfanyl-1-iodobenzene is CCSc1ccc(I)c(Cl)c1.
What is the InChIKey of 2-chloro-4-ethylsulfanyl-1-iodobenzene?
The InChIKey is VKSNRFWDQSGSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClIS/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5H,2H2,1H3.
What are the key properties of 2-chloro-4-ethylsulfanyl-1-iodobenzene?
2-chloro-4-ethylsulfanyl-1-iodobenzene has a molecular weight of 298.58 g/mol, XLogP of 4.06, 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-iodobenzene is sourced from PubChem (CID 67280185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).