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

C12H12ClIN2S — CID 103217548

IUPAC[(3-chloro-4-iodophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1cc(C(NN)c2ccc(I)c(Cl)c2)cs1
InChIInChI=1S/C12H12ClIN2S/c1-7-4-9(6-17-7)12(16-15)8-2-3-11(14)10(13)5-8/h2-6,12,16H,15H2,1H3
InChIKeyXKJGNMPCQNHGRG-UHFFFAOYSA-N
MW378.67 g/mol
LogP3.87
Rot. Bonds3

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

[(3-chloro-4-iodophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine (PubChem CID 103217548) has the molecular formula C12H12ClIN2S and a molecular weight of 378.67 g/mol. Its IUPAC name is [(3-chloro-4-iodophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-iodophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
PubChem CID103217548
Molecular FormulaC12H12ClIN2S
Molecular Weight378.67 g/mol
Exact Mass377.95
IUPAC Name[(3-chloro-4-iodophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1cc(C(NN)c2ccc(I)c(Cl)c2)cs1
InChIInChI=1S/C12H12ClIN2S/c1-7-4-9(6-17-7)12(16-15)8-2-3-11(14)10(13)5-8/h2-6,12,16H,15H2,1H3
InChIKeyXKJGNMPCQNHGRG-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)-(3,4-dichlorophenyl)methyl]hydrazine
CID 103217225
[(3-chloro-4-iodophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 103217604
[(3,4-difluorophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105197212
[(4-fluoro-3-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105204191
[(6-bromonaphthalen-2-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313338
[(5-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313241
[(3-bromophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105198129
[(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313337
[(2-chloro-6-fluorophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313153
[(5-methylthiophen-2-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313203
[(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

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-iodophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-iodophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine (CID 103217548) is [(3-chloro-4-iodophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-iodophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-iodophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine is Cc1cc(C(NN)c2ccc(I)c(Cl)c2)cs1.
What is the InChIKey of [(3-chloro-4-iodophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine?
The InChIKey is XKJGNMPCQNHGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClIN2S/c1-7-4-9(6-17-7)12(16-15)8-2-3-11(14)10(13)5-8/h2-6,12,16H,15H2,1H3.
What are the key properties of [(3-chloro-4-iodophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine?
[(3-chloro-4-iodophenyl)-(5-methylthiophen-3-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-3-yl)methyl]hydrazine is sourced from PubChem (CID 103217548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).