[2-butan-2-ylsulfanyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine

C13H21FN2S — CID 105227053

IUPAC[2-butan-2-ylsulfanyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
SMILESCCC(C)SCC(NN)c1cc(C)ccc1F
InChIInChI=1S/C13H21FN2S/c1-4-10(3)17-8-13(16-15)11-7-9(2)5-6-12(11)14/h5-7,10,13,16H,4,8,15H2,1-3H3
InChIKeyWEMGDFBNTUFXJN-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.17
Rot. Bonds6

About [2-butan-2-ylsulfanyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine

[2-butan-2-ylsulfanyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine (PubChem CID 105227053) has the molecular formula C13H21FN2S and a molecular weight of 256.39 g/mol. Its IUPAC name is [2-butan-2-ylsulfanyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-butan-2-ylsulfanyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
PubChem CID105227053
Molecular FormulaC13H21FN2S
Molecular Weight256.39 g/mol
Exact Mass256.14
IUPAC Name[2-butan-2-ylsulfanyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
SMILESCCC(C)SCC(NN)c1cc(C)ccc1F
InChIInChI=1S/C13H21FN2S/c1-4-10(3)17-8-13(16-15)11-7-9(2)5-6-12(11)14/h5-7,10,13,16H,4,8,15H2,1-3H3
InChIKeyWEMGDFBNTUFXJN-UHFFFAOYSA-N
XLogP3.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(2-fluoro-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine
CID 105226703
[1-(2-fluoro-5-methylphenyl)-2-propan-2-yloxyethyl]hydrazine
CID 105302713
2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64612602
1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine
CID 105311474
[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105309984
[2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105227309
[2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105227240
[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105326726
[2-(2,5-dichlorophenyl)-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105309794
[1-(2-fluoro-5-methylphenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105211767
[1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
CID 105236186
(1R)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171204039

Frequently Asked Questions

What is the IUPAC name of [2-butan-2-ylsulfanyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine?
The IUPAC name of [2-butan-2-ylsulfanyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine (CID 105227053) is [2-butan-2-ylsulfanyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-butan-2-ylsulfanyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-butan-2-ylsulfanyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine is CCC(C)SCC(NN)c1cc(C)ccc1F.
What is the InChIKey of [2-butan-2-ylsulfanyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine?
The InChIKey is WEMGDFBNTUFXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2S/c1-4-10(3)17-8-13(16-15)11-7-9(2)5-6-12(11)14/h5-7,10,13,16H,4,8,15H2,1-3H3.
What are the key properties of [2-butan-2-ylsulfanyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine?
[2-butan-2-ylsulfanyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine has a molecular weight of 256.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butan-2-ylsulfanyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105227053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).