[1-(4-fluoro-3-methylphenyl)-2-propan-2-ylsulfanylethyl]hydrazine

C12H19FN2S — CID 105225990

IUPAC[1-(4-fluoro-3-methylphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
SMILESCc1cc(C(CSC(C)C)NN)ccc1F
InChIInChI=1S/C12H19FN2S/c1-8(2)16-7-12(15-14)10-4-5-11(13)9(3)6-10/h4-6,8,12,15H,7,14H2,1-3H3
InChIKeyUJMLVYGQULXRKQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.78
Rot. Bonds5

About [1-(4-fluoro-3-methylphenyl)-2-propan-2-ylsulfanylethyl]hydrazine

[1-(4-fluoro-3-methylphenyl)-2-propan-2-ylsulfanylethyl]hydrazine (PubChem CID 105225990) has the molecular formula C12H19FN2S and a molecular weight of 242.36 g/mol. Its IUPAC name is [1-(4-fluoro-3-methylphenyl)-2-propan-2-ylsulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-fluoro-3-methylphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
PubChem CID105225990
Molecular FormulaC12H19FN2S
Molecular Weight242.36 g/mol
Exact Mass242.13
IUPAC Name[1-(4-fluoro-3-methylphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
SMILESCc1cc(C(CSC(C)C)NN)ccc1F
InChIInChI=1S/C12H19FN2S/c1-8(2)16-7-12(15-14)10-4-5-11(13)9(3)6-10/h4-6,8,12,15H,7,14H2,1-3H3
InChIKeyUJMLVYGQULXRKQ-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.78
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-(4-fluoro-3-methylphenyl)butylhydrazine
CID 105202039
1-(4-fluoro-3-methylphenyl)hexylhydrazine
CID 105204173
1-(4-fluoro-3-methylphenyl)undecylhydrazine
CID 105204213
[2-(2,6-difluorophenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105204208
N,N-diethyl-3-(4-fluoro-3-methylphenyl)-3-hydrazinylpropan-1-amine
CID 105243974
[1-(4-fluoro-3-methylphenyl)-2-methylpropyl]hydrazine
CID 105199475
[1-(4-ethylphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105226219
[1-(3,4-difluorophenyl)-2-ethylsulfanylethyl]hydrazine
CID 105225349
[1-(4-fluoro-3-methylphenyl)-4-phenylbutyl]hydrazine
CID 105203971
[1-(4-fluoro-3-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105204160
[2-(5-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105203973
[2-(2-bromo-4-fluorophenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105204048

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-3-methylphenyl)-2-propan-2-ylsulfanylethyl]hydrazine?
The IUPAC name of [1-(4-fluoro-3-methylphenyl)-2-propan-2-ylsulfanylethyl]hydrazine (CID 105225990) is [1-(4-fluoro-3-methylphenyl)-2-propan-2-ylsulfanylethyl]hydrazine.
What is the SMILES notation for [1-(4-fluoro-3-methylphenyl)-2-propan-2-ylsulfanylethyl]hydrazine?
The canonical SMILES for [1-(4-fluoro-3-methylphenyl)-2-propan-2-ylsulfanylethyl]hydrazine is Cc1cc(C(CSC(C)C)NN)ccc1F.
What is the InChIKey of [1-(4-fluoro-3-methylphenyl)-2-propan-2-ylsulfanylethyl]hydrazine?
The InChIKey is UJMLVYGQULXRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2S/c1-8(2)16-7-12(15-14)10-4-5-11(13)9(3)6-10/h4-6,8,12,15H,7,14H2,1-3H3.
What are the key properties of [1-(4-fluoro-3-methylphenyl)-2-propan-2-ylsulfanylethyl]hydrazine?
[1-(4-fluoro-3-methylphenyl)-2-propan-2-ylsulfanylethyl]hydrazine has a molecular weight of 242.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-3-methylphenyl)-2-propan-2-ylsulfanylethyl]hydrazine is sourced from PubChem (CID 105225990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).