4-ethylsulfanyl-2-fluoroaniline

C8H10FNS — CID 22025679

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

About 4-ethylsulfanyl-2-fluoroaniline

4-ethylsulfanyl-2-fluoroaniline (PubChem CID 22025679) has the molecular formula C8H10FNS and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-ethylsulfanyl-2-fluoroaniline.

Molecular Properties

Compound Name4-ethylsulfanyl-2-fluoroaniline
PubChem CID22025679
Molecular FormulaC8H10FNS
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name4-ethylsulfanyl-2-fluoroaniline
SMILESCCSc1ccc(N)c(F)c1
InChIInChI=1S/C8H10FNS/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5H,2,10H2,1H3
InChIKeyMUIKRBWVNVYCSK-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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Related Compounds

4,4'-Thiodianiline
CID 8765
4-(Methylthio)aniline
CID 66038
Benzenamine, 3-(methylthio)-
CID 15693
4-(Methylsulfonyl)aniline
CID 79617
4-((Trifluoromethyl)thio)aniline
CID 123054
[(4-Aminophenyl)sulfanyl]formonitrile
CID 76336
2-(Methylthio)aniline
CID 76337
4-(Phenylthio)aniline
CID 96081
4-(Ethylsulfonyl)benzenamine
CID 22795
2-(Isopropylthio)aniline
CID 13852720
2-(4-Methylsulfanylphenyl)guanidine
CID 4404280
2-Fluoro-4-(methylsulphonyl)aniline
CID 2783385

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2-fluoroaniline?
The IUPAC name of 4-ethylsulfanyl-2-fluoroaniline (CID 22025679) is 4-ethylsulfanyl-2-fluoroaniline.
What is the SMILES notation for 4-ethylsulfanyl-2-fluoroaniline?
The canonical SMILES for 4-ethylsulfanyl-2-fluoroaniline is CCSc1ccc(N)c(F)c1.
What is the InChIKey of 4-ethylsulfanyl-2-fluoroaniline?
The InChIKey is MUIKRBWVNVYCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5H,2,10H2,1H3.
What are the key properties of 4-ethylsulfanyl-2-fluoroaniline?
4-ethylsulfanyl-2-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-2-fluoroaniline is sourced from PubChem (CID 22025679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).