1-(4-methylphenyl)sulfanylpent-4-en-2-ylhydrazine

C12H18N2S — CID 105236964

IUPAC1-(4-methylphenyl)sulfanylpent-4-en-2-ylhydrazine
SMILESC=CCC(CSc1ccc(C)cc1)NN
InChIInChI=1S/C12H18N2S/c1-3-4-11(14-13)9-15-12-7-5-10(2)6-8-12/h3,5-8,11,14H,1,4,9,13H2,2H3
InChIKeyZRNHYHFOAFFCKG-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.50
Rot. Bonds6

About 1-(4-methylphenyl)sulfanylpent-4-en-2-ylhydrazine

1-(4-methylphenyl)sulfanylpent-4-en-2-ylhydrazine (PubChem CID 105236964) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfanylpent-4-en-2-ylhydrazine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfanylpent-4-en-2-ylhydrazine
PubChem CID105236964
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name1-(4-methylphenyl)sulfanylpent-4-en-2-ylhydrazine
SMILESC=CCC(CSc1ccc(C)cc1)NN
InChIInChI=1S/C12H18N2S/c1-3-4-11(14-13)9-15-12-7-5-10(2)6-8-12/h3,5-8,11,14H,1,4,9,13H2,2H3
InChIKeyZRNHYHFOAFFCKG-UHFFFAOYSA-N
XLogP2.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine
CID 105236985
[1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105236961
[1-(2-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105236924
[4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-yl]hydrazine
CID 105236973
N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine
CID 66088350
[1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105235891
[1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 103043949
[1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105237018
[1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine
CID 105235845
1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 66066581
1-(4-methylphenyl)sulfanylhept-6-en-2-ol
CID 66063998
[1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine
CID 105235987

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfanylpent-4-en-2-ylhydrazine?
The IUPAC name of 1-(4-methylphenyl)sulfanylpent-4-en-2-ylhydrazine (CID 105236964) is 1-(4-methylphenyl)sulfanylpent-4-en-2-ylhydrazine.
What is the SMILES notation for 1-(4-methylphenyl)sulfanylpent-4-en-2-ylhydrazine?
The canonical SMILES for 1-(4-methylphenyl)sulfanylpent-4-en-2-ylhydrazine is C=CCC(CSc1ccc(C)cc1)NN.
What is the InChIKey of 1-(4-methylphenyl)sulfanylpent-4-en-2-ylhydrazine?
The InChIKey is ZRNHYHFOAFFCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-3-4-11(14-13)9-15-12-7-5-10(2)6-8-12/h3,5-8,11,14H,1,4,9,13H2,2H3.
What are the key properties of 1-(4-methylphenyl)sulfanylpent-4-en-2-ylhydrazine?
1-(4-methylphenyl)sulfanylpent-4-en-2-ylhydrazine has a molecular weight of 222.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfanylpent-4-en-2-ylhydrazine is sourced from PubChem (CID 105236964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).