[(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine

C13H15BrN2S — CID 105313361

IUPAC[(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1ccc(Br)c(C(NN)c2csc(C)c2)c1
InChIInChI=1S/C13H15BrN2S/c1-8-3-4-12(14)11(5-8)13(16-15)10-6-9(2)17-7-10/h3-7,13,16H,15H2,1-2H3
InChIKeyKVLIYDSOJIPWMW-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.68
Rot. Bonds3

About [(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine

[(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine (PubChem CID 105313361) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is [(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
PubChem CID105313361
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name[(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1ccc(Br)c(C(NN)c2csc(C)c2)c1
InChIInChI=1S/C13H15BrN2S/c1-8-3-4-12(14)11(5-8)13(16-15)10-6-9(2)17-7-10/h3-7,13,16H,15H2,1-2H3
InChIKeyKVLIYDSOJIPWMW-UHFFFAOYSA-N
XLogP3.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.68
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-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 104991668
[(2-methoxy-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313190
[(2-fluoro-4-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313226
[(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313337
1-(2-bromo-5-iodophenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 114027094
[(3-bromophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105198129
[(5-methyl-1-benzofuran-2-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313231
[(2-methylsulfanylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313270
[(2,5-difluorophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105219485
[(2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313245
[(2-bromo-5-methylphenyl)-(5-chlorothiophen-2-yl)methyl]hydrazine
CID 105328290
[(6-bromonaphthalen-2-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313338

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine (CID 105313361) is [(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine is Cc1ccc(Br)c(C(NN)c2csc(C)c2)c1.
What is the InChIKey of [(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine?
The InChIKey is KVLIYDSOJIPWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-8-3-4-12(14)11(5-8)13(16-15)10-6-9(2)17-7-10/h3-7,13,16H,15H2,1-2H3.
What are the key properties of [(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine?
[(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine has a molecular weight of 311.25 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine is sourced from PubChem (CID 105313361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).