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

C13H15BrN2S — CID 105322462

IUPAC[(3-bromo-2-methylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
SMILESCc1ccsc1C(NN)c1cccc(Br)c1C
InChIInChI=1S/C13H15BrN2S/c1-8-6-7-17-13(8)12(16-15)10-4-3-5-11(14)9(10)2/h3-7,12,16H,15H2,1-2H3
InChIKeyYHXLTBBLNAKNIL-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.68
Rot. Bonds3

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

[(3-bromo-2-methylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine (PubChem CID 105322462) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is [(3-bromo-2-methylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2-methylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
PubChem CID105322462
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name[(3-bromo-2-methylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
SMILESCc1ccsc1C(NN)c1cccc(Br)c1C
InChIInChI=1S/C13H15BrN2S/c1-8-6-7-17-13(8)12(16-15)10-4-3-5-11(14)9(10)2/h3-7,12,16H,15H2,1-2H3
InChIKeyYHXLTBBLNAKNIL-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

[1-benzothiophen-7-yl-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105327742
[(2-methylsulfanylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322402
[(4-bromothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105222526
[(3-bromo-2-methylphenyl)-(3,4-dimethylphenyl)methyl]hydrazine
CID 105300284
[(2-bromo-3,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 107541161
[(2-methylfuran-3-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105269085
4-[hydrazinyl-(3-methylthiophen-2-yl)methyl]-1H-pyrazol-5-amine
CID 105231201
[(2,4-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322333
[2-(2-bromophenyl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105214945
[(2-methylquinolin-4-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322432
(3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102840617
[(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methyl]hydrazine
CID 106765567

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2-methylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2-methylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine (CID 105322462) is [(3-bromo-2-methylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2-methylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2-methylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine is Cc1ccsc1C(NN)c1cccc(Br)c1C.
What is the InChIKey of [(3-bromo-2-methylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine?
The InChIKey is YHXLTBBLNAKNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-8-6-7-17-13(8)12(16-15)10-4-3-5-11(14)9(10)2/h3-7,12,16H,15H2,1-2H3.
What are the key properties of [(3-bromo-2-methylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine?
[(3-bromo-2-methylphenyl)-(3-methylthiophen-2-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 [(3-bromo-2-methylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105322462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).