2,4-difluoro-6-methylsulfanylaniline

C7H7F2NS — CID 115507618

IUPAC2,4-difluoro-6-methylsulfanylaniline
SMILESCSc1cc(F)cc(F)c1N
InChIInChI=1S/C7H7F2NS/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,10H2,1H3
InChIKeyDJAGWMKDZQDHMM-UHFFFAOYSA-N
MW175.20 g/mol
LogP2.27
Rot. Bonds1

About 2,4-difluoro-6-methylsulfanylaniline

2,4-difluoro-6-methylsulfanylaniline (PubChem CID 115507618) has the molecular formula C7H7F2NS and a molecular weight of 175.20 g/mol. Its IUPAC name is 2,4-difluoro-6-methylsulfanylaniline.

Molecular Properties

Compound Name2,4-difluoro-6-methylsulfanylaniline
PubChem CID115507618
Molecular FormulaC7H7F2NS
Molecular Weight175.20 g/mol
Exact Mass175.03
IUPAC Name2,4-difluoro-6-methylsulfanylaniline
SMILESCSc1cc(F)cc(F)c1N
InChIInChI=1S/C7H7F2NS/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,10H2,1H3
InChIKeyDJAGWMKDZQDHMM-UHFFFAOYSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 52.27
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

2,4-difluoro-6-(5-methylpyrimidin-2-yl)sulfanylaniline
CID 115507622
2-(3,4-difluorophenyl)sulfanyl-4,6-difluoroaniline
CID 115507603
2,4-difluoro-6-(oxetan-3-ylsulfanyl)aniline
CID 115507652
1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene
CID 66729776
1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine
CID 115506451
(2,5-difluoro-3-methylsulfanylphenyl)methanamine
CID 117281490
2,4-difluoro-6-prop-1-ynylaniline
CID 130019414
1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene
CID 10798945
2-(2-amino-3,5-difluorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 115507599
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-4,6-difluoroaniline
CID 66511440
1-N-tert-butyl-3,5-difluorobenzene-1,2-diamine
CID 115506498
2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane
CID 157177077

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-methylsulfanylaniline?
The IUPAC name of 2,4-difluoro-6-methylsulfanylaniline (CID 115507618) is 2,4-difluoro-6-methylsulfanylaniline.
What is the SMILES notation for 2,4-difluoro-6-methylsulfanylaniline?
The canonical SMILES for 2,4-difluoro-6-methylsulfanylaniline is CSc1cc(F)cc(F)c1N.
What is the InChIKey of 2,4-difluoro-6-methylsulfanylaniline?
The InChIKey is DJAGWMKDZQDHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NS/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,10H2,1H3.
What are the key properties of 2,4-difluoro-6-methylsulfanylaniline?
2,4-difluoro-6-methylsulfanylaniline has a molecular weight of 175.20 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-methylsulfanylaniline is sourced from PubChem (CID 115507618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).