1-(2-fluoro-4-methylsulfanylphenyl)propyldiazene

C10H13FN2S — CID 54171409

IUPAC1-(2-fluoro-4-methylsulfanylphenyl)propyldiazene
SMILES[H]/N=N/C(CC)c1ccc(SC)cc1F
InChIInChI=1S/C10H13FN2S/c1-3-10(13-12)8-5-4-7(14-2)6-9(8)11/h4-6,10,12H,3H2,1-2H3/b13-12+
InChIKeyOVHIUPQZEZSFNC-OUKQBFOZSA-N
MW212.29 g/mol
LogP4.03
Rot. Bonds4

About 1-(2-fluoro-4-methylsulfanylphenyl)propyldiazene

1-(2-fluoro-4-methylsulfanylphenyl)propyldiazene (PubChem CID 54171409) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylsulfanylphenyl)propyldiazene.

Molecular Properties

Compound Name1-(2-fluoro-4-methylsulfanylphenyl)propyldiazene
PubChem CID54171409
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name1-(2-fluoro-4-methylsulfanylphenyl)propyldiazene
SMILES[H]/N=N/C(CC)c1ccc(SC)cc1F
InChIInChI=1S/C10H13FN2S/c1-3-10(13-12)8-5-4-7(14-2)6-9(8)11/h4-6,10,12H,3H2,1-2H3/b13-12+
InChIKeyOVHIUPQZEZSFNC-OUKQBFOZSA-N
XLogP4.03
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylsulfanylphenyl)propyldiazene?
The IUPAC name of 1-(2-fluoro-4-methylsulfanylphenyl)propyldiazene (CID 54171409) is 1-(2-fluoro-4-methylsulfanylphenyl)propyldiazene.
What is the SMILES notation for 1-(2-fluoro-4-methylsulfanylphenyl)propyldiazene?
The canonical SMILES for 1-(2-fluoro-4-methylsulfanylphenyl)propyldiazene is [H]/N=N/C(CC)c1ccc(SC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methylsulfanylphenyl)propyldiazene?
The InChIKey is OVHIUPQZEZSFNC-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H13FN2S/c1-3-10(13-12)8-5-4-7(14-2)6-9(8)11/h4-6,10,12H,3H2,1-2H3/b13-12+.
What are the key properties of 1-(2-fluoro-4-methylsulfanylphenyl)propyldiazene?
1-(2-fluoro-4-methylsulfanylphenyl)propyldiazene has a molecular weight of 212.29 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylsulfanylphenyl)propyldiazene is sourced from PubChem (CID 54171409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).