[1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine

C16H18ClFN2S — CID 105237086

IUPAC[1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine
SMILESCc1cccc(SCC(Cc2cccc(F)c2Cl)NN)c1
InChIInChI=1S/C16H18ClFN2S/c1-11-4-2-6-14(8-11)21-10-13(20-19)9-12-5-3-7-15(18)16(12)17/h2-8,13,20H,9-10,19H2,1H3
InChIKeyBLDOVCQPJCGDJQ-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.95
Rot. Bonds6

About [1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine

[1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine (PubChem CID 105237086) has the molecular formula C16H18ClFN2S and a molecular weight of 324.85 g/mol. Its IUPAC name is [1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine
PubChem CID105237086
Molecular FormulaC16H18ClFN2S
Molecular Weight324.85 g/mol
Exact Mass324.09
IUPAC Name[1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine
SMILESCc1cccc(SCC(Cc2cccc(F)c2Cl)NN)c1
InChIInChI=1S/C16H18ClFN2S/c1-11-4-2-6-14(8-11)21-10-13(20-19)9-12-5-3-7-15(18)16(12)17/h2-8,13,20H,9-10,19H2,1H3
InChIKeyBLDOVCQPJCGDJQ-UHFFFAOYSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.95
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-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 115983844
1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088346
1-(3-chloro-2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 102857682
[1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105212595
[1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105237861
[1-(2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine
CID 105228097
[1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine
CID 102867810
[1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105198841
[1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
CID 105215085
[1-(2-chloro-3-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105223066
1-(3-chloro-4-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 103040177
N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088351

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine (CID 105237086) is [1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine is Cc1cccc(SCC(Cc2cccc(F)c2Cl)NN)c1.
What is the InChIKey of [1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine?
The InChIKey is BLDOVCQPJCGDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2S/c1-11-4-2-6-14(8-11)21-10-13(20-19)9-12-5-3-7-15(18)16(12)17/h2-8,13,20H,9-10,19H2,1H3.
What are the key properties of [1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine?
[1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine has a molecular weight of 324.85 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 105237086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).