2-(4-amino-2-fluoro-5-methylphenyl)sulfanylethanol

C9H12FNOS — CID 130589850

IUPAC2-(4-amino-2-fluoro-5-methylphenyl)sulfanylethanol
SMILESCc1cc(SCCO)c(F)cc1N
InChIInChI=1S/C9H12FNOS/c1-6-4-9(13-3-2-12)7(10)5-8(6)11/h4-5,12H,2-3,11H2,1H3
InChIKeyUORQQPLIKAXJFM-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.80
Rot. Bonds3

About 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylethanol

2-(4-amino-2-fluoro-5-methylphenyl)sulfanylethanol (PubChem CID 130589850) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(4-amino-2-fluoro-5-methylphenyl)sulfanylethanol
PubChem CID130589850
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name2-(4-amino-2-fluoro-5-methylphenyl)sulfanylethanol
SMILESCc1cc(SCCO)c(F)cc1N
InChIInChI=1S/C9H12FNOS/c1-6-4-9(13-3-2-12)7(10)5-8(6)11/h4-5,12H,2-3,11H2,1H3
InChIKeyUORQQPLIKAXJFM-UHFFFAOYSA-N
XLogP1.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-methyl-4-propylsulfanylaniline
CID 130589847
2-(4-amino-2-fluoro-5-methylphenyl)sulfanylpropan-1-ol
CID 126984289
(2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol
CID 66513540
2-bromo-5-fluoro-4-(2-hydroxyethylsulfanyl)benzonitrile
CID 130543116
5-fluoro-2-methyl-4-(2-phenylsulfanylethoxy)aniline
CID 114415779
2-amino-4-fluoro-5-(3-methoxypropylsulfanyl)benzoic acid
CID 63857410
3-(4-amino-2-fluoro-5-methylphenyl)-2,3-dihydroxypropanenitrile
CID 171870251
5-fluoro-2-methyl-4-(3-methylsulfanylpropoxy)aniline
CID 114415919
2-(4-amino-2-fluoro-5-methylphenyl)acetic acid
CID 91755180
2-(2,3,4-trimethylphenyl)sulfanylethanol
CID 116852718
3-(4-amino-2-fluoro-5-methylphenyl)-2,3-dihydroxypropanoic acid
CID 170823988
4-fluoro-6-methylbenzene-1,3-diamine;hydrate
CID 141142247

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylethanol?
The IUPAC name of 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylethanol (CID 130589850) is 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylethanol.
What is the SMILES notation for 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylethanol?
The canonical SMILES for 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylethanol is Cc1cc(SCCO)c(F)cc1N.
What is the InChIKey of 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylethanol?
The InChIKey is UORQQPLIKAXJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-6-4-9(13-3-2-12)7(10)5-8(6)11/h4-5,12H,2-3,11H2,1H3.
What are the key properties of 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylethanol?
2-(4-amino-2-fluoro-5-methylphenyl)sulfanylethanol has a molecular weight of 201.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylethanol is sourced from PubChem (CID 130589850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).