3-fluoro-5-methylsulfanylaniline

C7H8FNS — CID 61023848

IUPAC3-fluoro-5-methylsulfanylaniline
SMILESCSc1cc(N)cc(F)c1
InChIInChI=1S/C7H8FNS/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,9H2,1H3
InChIKeyQHAHSHKRPVZMMG-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.13
Rot. Bonds1

About 3-fluoro-5-methylsulfanylaniline

3-fluoro-5-methylsulfanylaniline (PubChem CID 61023848) has the molecular formula C7H8FNS and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-fluoro-5-methylsulfanylaniline.

Molecular Properties

Compound Name3-fluoro-5-methylsulfanylaniline
PubChem CID61023848
Molecular FormulaC7H8FNS
Molecular Weight157.21 g/mol
Exact Mass157.04
IUPAC Name3-fluoro-5-methylsulfanylaniline
SMILESCSc1cc(N)cc(F)c1
InChIInChI=1S/C7H8FNS/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,9H2,1H3
InChIKeyQHAHSHKRPVZMMG-UHFFFAOYSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.13
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 3-fluoro-5-methylsulfanylaniline?
The IUPAC name of 3-fluoro-5-methylsulfanylaniline (CID 61023848) is 3-fluoro-5-methylsulfanylaniline.
What is the SMILES notation for 3-fluoro-5-methylsulfanylaniline?
The canonical SMILES for 3-fluoro-5-methylsulfanylaniline is CSc1cc(N)cc(F)c1.
What is the InChIKey of 3-fluoro-5-methylsulfanylaniline?
The InChIKey is QHAHSHKRPVZMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNS/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,9H2,1H3.
What are the key properties of 3-fluoro-5-methylsulfanylaniline?
3-fluoro-5-methylsulfanylaniline has a molecular weight of 157.21 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methylsulfanylaniline is sourced from PubChem (CID 61023848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).