[2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine

C12H15FN2OS — CID 105225526

IUPAC[2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
SMILESCCSCC(NN)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H15FN2OS/c1-2-17-7-10(15-14)11-6-8-4-3-5-9(13)12(8)16-11/h3-6,10,15H,2,7,14H2,1H3
InChIKeyCKHOKLPNUOTNIP-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.83
Rot. Bonds5

About [2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine

[2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine (PubChem CID 105225526) has the molecular formula C12H15FN2OS and a molecular weight of 254.33 g/mol. Its IUPAC name is [2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
PubChem CID105225526
Molecular FormulaC12H15FN2OS
Molecular Weight254.33 g/mol
Exact Mass254.09
IUPAC Name[2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
SMILESCCSCC(NN)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H15FN2OS/c1-2-17-7-10(15-14)11-6-8-4-3-5-9(13)12(8)16-11/h3-6,10,15H,2,7,14H2,1H3
InChIKeyCKHOKLPNUOTNIP-UHFFFAOYSA-N
XLogP2.83
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(7-fluoro-1-benzofuran-2-yl)-2-propylsulfanylethyl]hydrazine
CID 105225894
[2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105227309
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114726596
2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine
CID 105244926
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
2-tert-butylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 114728944
1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 114728123
[1-(7-fluoro-1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105214352
[1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypropyl]hydrazine
CID 105247114
N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728047
1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728135
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144

Frequently Asked Questions

What is the IUPAC name of [2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine?
The IUPAC name of [2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine (CID 105225526) is [2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine is CCSCC(NN)c1cc2cccc(F)c2o1.
What is the InChIKey of [2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine?
The InChIKey is CKHOKLPNUOTNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2OS/c1-2-17-7-10(15-14)11-6-8-4-3-5-9(13)12(8)16-11/h3-6,10,15H,2,7,14H2,1H3.
What are the key properties of [2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine?
[2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine has a molecular weight of 254.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105225526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).