1-(3-methylphenyl)sulfanylbut-3-en-2-ylhydrazine

C11H16N2S — CID 105237093

IUPAC1-(3-methylphenyl)sulfanylbut-3-en-2-ylhydrazine
SMILESC=CC(CSc1cccc(C)c1)NN
InChIInChI=1S/C11H16N2S/c1-3-10(13-12)8-14-11-6-4-5-9(2)7-11/h3-7,10,13H,1,8,12H2,2H3
InChIKeyLYCVFULXTPSKFZ-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.11
Rot. Bonds5

About 1-(3-methylphenyl)sulfanylbut-3-en-2-ylhydrazine

1-(3-methylphenyl)sulfanylbut-3-en-2-ylhydrazine (PubChem CID 105237093) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-(3-methylphenyl)sulfanylbut-3-en-2-ylhydrazine.

Molecular Properties

Compound Name1-(3-methylphenyl)sulfanylbut-3-en-2-ylhydrazine
PubChem CID105237093
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name1-(3-methylphenyl)sulfanylbut-3-en-2-ylhydrazine
SMILESC=CC(CSc1cccc(C)c1)NN
InChIInChI=1S/C11H16N2S/c1-3-10(13-12)8-14-11-6-4-5-9(2)7-11/h3-7,10,13H,1,8,12H2,2H3
InChIKeyLYCVFULXTPSKFZ-UHFFFAOYSA-N
XLogP2.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.11
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

1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine
CID 105236361
N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine
CID 66088350
5-(3-methylphenyl)pent-1-en-3-ylhydrazine
CID 105318126
ethane;1-(3-methylphenyl)sulfanylpropan-2-amine
CID 145087254
1-(2,2-difluoroethylsulfanyl)-3-methylbenzene
CID 130741881
[1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237281
[1-(furan-2-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237072
[2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105237107
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
[1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237204
[1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237121
N-ethyl-1-(3-methylphenyl)sulfanylhept-6-en-2-amine
CID 66087975

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)sulfanylbut-3-en-2-ylhydrazine?
The IUPAC name of 1-(3-methylphenyl)sulfanylbut-3-en-2-ylhydrazine (CID 105237093) is 1-(3-methylphenyl)sulfanylbut-3-en-2-ylhydrazine.
What is the SMILES notation for 1-(3-methylphenyl)sulfanylbut-3-en-2-ylhydrazine?
The canonical SMILES for 1-(3-methylphenyl)sulfanylbut-3-en-2-ylhydrazine is C=CC(CSc1cccc(C)c1)NN.
What is the InChIKey of 1-(3-methylphenyl)sulfanylbut-3-en-2-ylhydrazine?
The InChIKey is LYCVFULXTPSKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-3-10(13-12)8-14-11-6-4-5-9(2)7-11/h3-7,10,13H,1,8,12H2,2H3.
What are the key properties of 1-(3-methylphenyl)sulfanylbut-3-en-2-ylhydrazine?
1-(3-methylphenyl)sulfanylbut-3-en-2-ylhydrazine has a molecular weight of 208.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)sulfanylbut-3-en-2-ylhydrazine is sourced from PubChem (CID 105237093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).