5-fluoro-2-methyl-4-propylsulfanylaniline

C10H14FNS — CID 130589847

IUPAC5-fluoro-2-methyl-4-propylsulfanylaniline
SMILESCCCSc1cc(C)c(N)cc1F
InChIInChI=1S/C10H14FNS/c1-3-4-13-10-5-7(2)9(12)6-8(10)11/h5-6H,3-4,12H2,1-2H3
InChIKeyAPYQFLONBMYQIH-UHFFFAOYSA-N
MW199.29 g/mol
LogP3.22
Rot. Bonds3

About 5-fluoro-2-methyl-4-propylsulfanylaniline

5-fluoro-2-methyl-4-propylsulfanylaniline (PubChem CID 130589847) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is 5-fluoro-2-methyl-4-propylsulfanylaniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-4-propylsulfanylaniline
PubChem CID130589847
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name5-fluoro-2-methyl-4-propylsulfanylaniline
SMILESCCCSc1cc(C)c(N)cc1F
InChIInChI=1S/C10H14FNS/c1-3-4-13-10-5-7(2)9(12)6-8(10)11/h5-6H,3-4,12H2,1-2H3
InChIKeyAPYQFLONBMYQIH-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.22
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-amino-2-fluoro-5-methylphenyl)sulfanylethanol
CID 130589850
5-fluoro-2-methoxy-4-propylsulfanylaniline
CID 107260157
2-(4-amino-2-fluoro-5-methylphenyl)sulfanylpropan-1-ol
CID 126984289
2-bromo-5-fluoro-4-propylsulfanylbenzonitrile
CID 130543115
5-fluoro-2-methyl-4-(2-phenylsulfanylethoxy)aniline
CID 114415779
2-propylsulfanylbenzene-1,4-diamine
CID 22749922
4-[2-(diethylamino)ethylsulfanyl]-5-fluoro-2-methoxyaniline
CID 107260210
5-fluoro-2-methyl-4-(3-methylsulfanylpropoxy)aniline
CID 114415919
(1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol
CID 78952025
ethane;2-propylsulfanylaniline
CID 143337712
2-ethylsulfanyl-4,5-difluoroaniline
CID 130536650
3-fluoro-4-pentylsulfanylaniline
CID 43303727

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-4-propylsulfanylaniline?
The IUPAC name of 5-fluoro-2-methyl-4-propylsulfanylaniline (CID 130589847) is 5-fluoro-2-methyl-4-propylsulfanylaniline.
What is the SMILES notation for 5-fluoro-2-methyl-4-propylsulfanylaniline?
The canonical SMILES for 5-fluoro-2-methyl-4-propylsulfanylaniline is CCCSc1cc(C)c(N)cc1F.
What is the InChIKey of 5-fluoro-2-methyl-4-propylsulfanylaniline?
The InChIKey is APYQFLONBMYQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c1-3-4-13-10-5-7(2)9(12)6-8(10)11/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-4-propylsulfanylaniline?
5-fluoro-2-methyl-4-propylsulfanylaniline has a molecular weight of 199.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-4-propylsulfanylaniline is sourced from PubChem (CID 130589847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).