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

C18H20N2S — CID 105312893

IUPAC[1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)c2cc3ccccc3s2)cc1C
InChIInChI=1S/C18H20N2S/c1-11-8-13(3)15(9-12(11)2)18(20-19)17-10-14-6-4-5-7-16(14)21-17/h4-10,18,20H,19H2,1-3H3
InChIKeyZVKQJCXXUQPQBB-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.38
Rot. Bonds3

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

[1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine (PubChem CID 105312893) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is [1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
PubChem CID105312893
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name[1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)c2cc3ccccc3s2)cc1C
InChIInChI=1S/C18H20N2S/c1-11-8-13(3)15(9-12(11)2)18(20-19)17-10-14-6-4-5-7-16(14)21-17/h4-10,18,20H,19H2,1-3H3
InChIKeyZVKQJCXXUQPQBB-UHFFFAOYSA-N
XLogP4.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.38
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-benzothiophen-2-yl-(2-methylphenyl)methyl]hydrazine
CID 105286041
[1-benzothiophen-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302449
[1-benzothiophen-2-yl-(4-methylphenyl)methyl]hydrazine
CID 105285358
1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol
CID 115807031
[1-benzothiophen-2-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130991
[1-benzothiophen-2-yl-(2,5-dichlorophenyl)methyl]hydrazine
CID 105302006
[1-benzothiophen-2-yl(1-benzothiophen-7-yl)methyl]hydrazine
CID 105327686
[1-benzofuran-2-yl(1-benzothiophen-2-yl)methyl]hydrazine
CID 105337766
N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851962
[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105211144
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
[4,5,6,7-tetrahydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312827

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine (CID 105312893) is [1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine is Cc1cc(C)c(C(NN)c2cc3ccccc3s2)cc1C.
What is the InChIKey of [1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine?
The InChIKey is ZVKQJCXXUQPQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-11-8-13(3)15(9-12(11)2)18(20-19)17-10-14-6-4-5-7-16(14)21-17/h4-10,18,20H,19H2,1-3H3.
What are the key properties of [1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine?
[1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine has a molecular weight of 296.44 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 105312893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).