4-ethylsulfanyl-3-fluoroaniline

C8H10FNS — CID 28972803

IUPAC4-ethylsulfanyl-3-fluoroaniline
SMILESCCSc1ccc(N)cc1F
InChIInChI=1S/C8H10FNS/c1-2-11-8-4-3-6(10)5-7(8)9/h3-5H,2,10H2,1H3
InChIKeySEIUYVNBJBTNGX-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.52
Rot. Bonds2

About 4-ethylsulfanyl-3-fluoroaniline

4-ethylsulfanyl-3-fluoroaniline (PubChem CID 28972803) has the molecular formula C8H10FNS and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-ethylsulfanyl-3-fluoroaniline.

Molecular Properties

Compound Name4-ethylsulfanyl-3-fluoroaniline
PubChem CID28972803
Molecular FormulaC8H10FNS
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name4-ethylsulfanyl-3-fluoroaniline
SMILESCCSc1ccc(N)cc1F
InChIInChI=1S/C8H10FNS/c1-2-11-8-4-3-6(10)5-7(8)9/h3-5H,2,10H2,1H3
InChIKeySEIUYVNBJBTNGX-UHFFFAOYSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-3-fluoroaniline?
The IUPAC name of 4-ethylsulfanyl-3-fluoroaniline (CID 28972803) is 4-ethylsulfanyl-3-fluoroaniline.
What is the SMILES notation for 4-ethylsulfanyl-3-fluoroaniline?
The canonical SMILES for 4-ethylsulfanyl-3-fluoroaniline is CCSc1ccc(N)cc1F.
What is the InChIKey of 4-ethylsulfanyl-3-fluoroaniline?
The InChIKey is SEIUYVNBJBTNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS/c1-2-11-8-4-3-6(10)5-7(8)9/h3-5H,2,10H2,1H3.
What are the key properties of 4-ethylsulfanyl-3-fluoroaniline?
4-ethylsulfanyl-3-fluoroaniline has a molecular weight of 171.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-3-fluoroaniline is sourced from PubChem (CID 28972803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).