[6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine

C13H12F3N3S — CID 102721407

IUPAC[6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCc1cccc(Sc2cc(C(F)(F)F)cc(NN)n2)c1
InChIInChI=1S/C13H12F3N3S/c1-8-3-2-4-10(5-8)20-12-7-9(13(14,15)16)6-11(18-12)19-17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyRZWHYENSJNHQBM-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.85
Rot. Bonds3

About [6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine

[6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 102721407) has the molecular formula C13H12F3N3S and a molecular weight of 299.32 g/mol. Its IUPAC name is [6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID102721407
Molecular FormulaC13H12F3N3S
Molecular Weight299.32 g/mol
Exact Mass299.07
IUPAC Name[6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCc1cccc(Sc2cc(C(F)(F)F)cc(NN)n2)c1
InChIInChI=1S/C13H12F3N3S/c1-8-3-2-4-10(5-8)20-12-7-9(13(14,15)16)6-11(18-12)19-17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyRZWHYENSJNHQBM-UHFFFAOYSA-N
XLogP3.85
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.85
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

[6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine
CID 80923478
[6-(4-methylpyrimidin-2-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721413
[6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721373
[6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721378
[6-(3-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721263
N-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720209
N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720227
4-chloro-6-(3-methylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768687
[6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721387
[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721368
[6-(1,3-oxazol-2-ylsulfanyl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 106928799
N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885675

Frequently Asked Questions

What is the IUPAC name of [6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 102721407) is [6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine is Cc1cccc(Sc2cc(C(F)(F)F)cc(NN)n2)c1.
What is the InChIKey of [6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is RZWHYENSJNHQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3S/c1-8-3-2-4-10(5-8)20-12-7-9(13(14,15)16)6-11(18-12)19-17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of [6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
[6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 299.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 102721407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).