[(3-chloro-4-iodophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine

C12H12ClIN2S — CID 103217604

IUPAC[(3-chloro-4-iodophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2ccc(I)c(Cl)c2)s1
InChIInChI=1S/C12H12ClIN2S/c1-7-2-5-11(17-7)12(16-15)8-3-4-10(14)9(13)6-8/h2-6,12,16H,15H2,1H3
InChIKeyXVBBNCVUTVWXTA-UHFFFAOYSA-N
MW378.67 g/mol
LogP3.87
Rot. Bonds3

About [(3-chloro-4-iodophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine

[(3-chloro-4-iodophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine (PubChem CID 103217604) has the molecular formula C12H12ClIN2S and a molecular weight of 378.67 g/mol. Its IUPAC name is [(3-chloro-4-iodophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-iodophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
PubChem CID103217604
Molecular FormulaC12H12ClIN2S
Molecular Weight378.67 g/mol
Exact Mass377.95
IUPAC Name[(3-chloro-4-iodophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2ccc(I)c(Cl)c2)s1
InChIInChI=1S/C12H12ClIN2S/c1-7-2-5-11(17-7)12(16-15)8-3-4-10(14)9(13)6-8/h2-6,12,16H,15H2,1H3
InChIKeyXVBBNCVUTVWXTA-UHFFFAOYSA-N
XLogP3.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.67
LogP ≤ 53.87
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-chloro-4-iodophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 103217548
[(3-chloro-4-iodophenyl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 103217225
[(3-fluoro-4-methylphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105201488
[(5-methylthiophen-2-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313203
[(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 106860041
1-(4-bromo-3-chlorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81290075
[(2-methylquinolin-6-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105327200
[(3-bromo-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105318789
[(3-chloro-4-methylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]hydrazine
CID 107562559
[(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 103217745
[(3-chloro-4-iodophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436374
N-[(3-chloro-4-iodophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 103220153

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-iodophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-iodophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine (CID 103217604) is [(3-chloro-4-iodophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-iodophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-iodophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine is Cc1ccc(C(NN)c2ccc(I)c(Cl)c2)s1.
What is the InChIKey of [(3-chloro-4-iodophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine?
The InChIKey is XVBBNCVUTVWXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClIN2S/c1-7-2-5-11(17-7)12(16-15)8-3-4-10(14)9(13)6-8/h2-6,12,16H,15H2,1H3.
What are the key properties of [(3-chloro-4-iodophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine?
[(3-chloro-4-iodophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine has a molecular weight of 378.67 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-iodophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 103217604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).