[4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine

C18H24N2S — CID 105312899

IUPAC[4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)C2CCCc3sccc32)cc1C
InChIInChI=1S/C18H24N2S/c1-11-9-13(3)16(10-12(11)2)18(20-19)15-5-4-6-17-14(15)7-8-21-17/h7-10,15,18,20H,4-6,19H2,1-3H3
InChIKeyHYFONJOVKZQJDT-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.30
Rot. Bonds3

About [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine

[4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine (PubChem CID 105312899) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
PubChem CID105312899
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name[4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)C2CCCc3sccc32)cc1C
InChIInChI=1S/C18H24N2S/c1-11-9-13(3)16(10-12(11)2)18(20-19)15-5-4-6-17-14(15)7-8-21-17/h7-10,15,18,20H,4-6,19H2,1-3H3
InChIKeyHYFONJOVKZQJDT-UHFFFAOYSA-N
XLogP4.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.30
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

[(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine
CID 105308080
[2-(3,4-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105290006
[2,3-dihydro-1H-inden-1-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105234484
[(2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]hydrazine
CID 102842760
[2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105283115
[(3,5-dimethylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine
CID 105312196
N-[(3-methylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]ethanamine
CID 105090908
2-(4-methylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105088537
[2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105310301
2-(3,4-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
CID 105081906
1-(3,4-difluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105145687
[2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105315787

Frequently Asked Questions

What is the IUPAC name of [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine?
The IUPAC name of [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine (CID 105312899) is [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine?
The canonical SMILES for [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine is Cc1cc(C)c(C(NN)C2CCCc3sccc32)cc1C.
What is the InChIKey of [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine?
The InChIKey is HYFONJOVKZQJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-11-9-13(3)16(10-12(11)2)18(20-19)15-5-4-6-17-14(15)7-8-21-17/h7-10,15,18,20H,4-6,19H2,1-3H3.
What are the key properties of [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine?
[4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine has a molecular weight of 300.47 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 105312899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).