[1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine

C16H19ClN2S — CID 105237861

IUPAC[1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
SMILESCc1cccc(CC(CSc2cccc(Cl)c2)NN)c1
InChIInChI=1S/C16H19ClN2S/c1-12-4-2-5-13(8-12)9-15(19-18)11-20-16-7-3-6-14(17)10-16/h2-8,10,15,19H,9,11,18H2,1H3
InChIKeyHYZUXTTXJUJVDD-UHFFFAOYSA-N
MW306.86 g/mol
LogP3.82
Rot. Bonds6

About [1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine

[1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine (PubChem CID 105237861) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is [1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
PubChem CID105237861
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name[1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
SMILESCc1cccc(CC(CSc2cccc(Cl)c2)NN)c1
InChIInChI=1S/C16H19ClN2S/c1-12-4-2-5-13(8-12)9-15(19-18)11-20-16-7-3-6-14(17)10-16/h2-8,10,15,19H,9,11,18H2,1H3
InChIKeyHYZUXTTXJUJVDD-UHFFFAOYSA-N
XLogP3.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 53.82
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-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine
CID 105237904
[1-(2-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105238103
[1-(3-chlorophenoxy)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105284980
[1-(3-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237759
[1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105237086
[1-(2,5-dichlorophenyl)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105209040
1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66146432
[1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225680
[1-(3,5-dimethylphenyl)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105208894
1-(3-chloro-4-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 103040177
[1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 103043949
1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088736

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine (CID 105237861) is [1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine is Cc1cccc(CC(CSc2cccc(Cl)c2)NN)c1.
What is the InChIKey of [1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine?
The InChIKey is HYZUXTTXJUJVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S/c1-12-4-2-5-13(8-12)9-15(19-18)11-20-16-7-3-6-14(17)10-16/h2-8,10,15,19H,9,11,18H2,1H3.
What are the key properties of [1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine?
[1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine has a molecular weight of 306.86 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105237861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).