[3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine

C10H16N2S — CID 105251950

IUPAC[3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1cscc1C
InChIInChI=1S/C10H16N2S/c1-7(2)4-10(12-11)9-6-13-5-8(9)3/h4-6,10,12H,11H2,1-3H3
InChIKeyXQKGAUNRVHXIOZ-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.53
Rot. Bonds3

About [3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine

[3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine (PubChem CID 105251950) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is [3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine
PubChem CID105251950
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name[3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1cscc1C
InChIInChI=1S/C10H16N2S/c1-7(2)4-10(12-11)9-6-13-5-8(9)3/h4-6,10,12H,11H2,1-3H3
InChIKeyXQKGAUNRVHXIOZ-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.53
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-(2-chloro-3-methylphenyl)-3-methylbut-2-enyl]hydrazine
CID 105319889
[1-(1-benzothiophen-3-yl)-3-methylbut-2-enyl]hydrazine
CID 105319840
[1-(5-bromo-4-methylthiophen-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105319885
[1-(1,5-dimethylpyrazol-4-yl)-3-methylbut-2-enyl]hydrazine
CID 105319839
[3-methyl-1-(4-methylphenyl)but-2-enyl]hydrazine
CID 105194488
[1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine
CID 105280246
[1-(2-tert-butylphenyl)-3-methylbut-2-enyl]hydrazine
CID 105319819
[1-(3-chloro-4-pyridinyl)-3-methylbut-2-enyl]hydrazine
CID 105319871
[1-(4-fluorophenyl)-3-methylbut-2-enyl]hydrazine
CID 105192857
2-amino-2-(4-methylthiophen-3-yl)ethanol
CID 84763905
[(4-methylthiophen-3-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105251742
[1-(furan-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105213697

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine?
The IUPAC name of [3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine (CID 105251950) is [3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine.
What is the SMILES notation for [3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine?
The canonical SMILES for [3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine is CC(C)=CC(NN)c1cscc1C.
What is the InChIKey of [3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine?
The InChIKey is XQKGAUNRVHXIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7(2)4-10(12-11)9-6-13-5-8(9)3/h4-6,10,12H,11H2,1-3H3.
What are the key properties of [3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine?
[3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine has a molecular weight of 196.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine is sourced from PubChem (CID 105251950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).