[(5-iodothiophen-3-yl)-(3-methylphenyl)methyl]hydrazine

C12H13IN2S — CID 105284942

IUPAC[(5-iodothiophen-3-yl)-(3-methylphenyl)methyl]hydrazine
SMILESCc1cccc(C(NN)c2csc(I)c2)c1
InChIInChI=1S/C12H13IN2S/c1-8-3-2-4-9(5-8)12(15-14)10-6-11(13)16-7-10/h2-7,12,15H,14H2,1H3
InChIKeyICEFYHVEINCARY-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.21
Rot. Bonds3

About [(5-iodothiophen-3-yl)-(3-methylphenyl)methyl]hydrazine

[(5-iodothiophen-3-yl)-(3-methylphenyl)methyl]hydrazine (PubChem CID 105284942) has the molecular formula C12H13IN2S and a molecular weight of 344.22 g/mol. Its IUPAC name is [(5-iodothiophen-3-yl)-(3-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-iodothiophen-3-yl)-(3-methylphenyl)methyl]hydrazine
PubChem CID105284942
Molecular FormulaC12H13IN2S
Molecular Weight344.22 g/mol
Exact Mass343.98
IUPAC Name[(5-iodothiophen-3-yl)-(3-methylphenyl)methyl]hydrazine
SMILESCc1cccc(C(NN)c2csc(I)c2)c1
InChIInChI=1S/C12H13IN2S/c1-8-3-2-4-9(5-8)12(15-14)10-6-11(13)16-7-10/h2-7,12,15H,14H2,1H3
InChIKeyICEFYHVEINCARY-UHFFFAOYSA-N
XLogP3.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3,5-difluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105301893
[(2,3-difluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105309400
[(3-bromo-5-methylphenyl)-(3-methylphenyl)methyl]hydrazine
CID 105284831
[(3-bromophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105198129
[(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105329391
[2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine
CID 105200833
[(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 106649932
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79692831
[(2-chloro-4-methylphenyl)-(3-methylphenyl)methyl]hydrazine
CID 106859691
[(4-cyclobutylphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105338208
1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79693474
[(6-bromonaphthalen-2-yl)-(3-methylphenyl)methyl]hydrazine
CID 105284934

Frequently Asked Questions

What is the IUPAC name of [(5-iodothiophen-3-yl)-(3-methylphenyl)methyl]hydrazine?
The IUPAC name of [(5-iodothiophen-3-yl)-(3-methylphenyl)methyl]hydrazine (CID 105284942) is [(5-iodothiophen-3-yl)-(3-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [(5-iodothiophen-3-yl)-(3-methylphenyl)methyl]hydrazine?
The canonical SMILES for [(5-iodothiophen-3-yl)-(3-methylphenyl)methyl]hydrazine is Cc1cccc(C(NN)c2csc(I)c2)c1.
What is the InChIKey of [(5-iodothiophen-3-yl)-(3-methylphenyl)methyl]hydrazine?
The InChIKey is ICEFYHVEINCARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2S/c1-8-3-2-4-9(5-8)12(15-14)10-6-11(13)16-7-10/h2-7,12,15H,14H2,1H3.
What are the key properties of [(5-iodothiophen-3-yl)-(3-methylphenyl)methyl]hydrazine?
[(5-iodothiophen-3-yl)-(3-methylphenyl)methyl]hydrazine has a molecular weight of 344.22 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-iodothiophen-3-yl)-(3-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105284942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).