1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine

C12H21BrN2S — CID 105294058

IUPAC1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine
SMILESCCCCCCC(NN)c1cc(C)c(Br)s1
InChIInChI=1S/C12H21BrN2S/c1-3-4-5-6-7-10(15-14)11-8-9(2)12(13)16-11/h8,10,15H,3-7,14H2,1-2H3
InChIKeyIEIPMGWKKFOLFY-UHFFFAOYSA-N
MW305.29 g/mol
LogP4.29
Rot. Bonds7

About 1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine

1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine (PubChem CID 105294058) has the molecular formula C12H21BrN2S and a molecular weight of 305.29 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine
PubChem CID105294058
Molecular FormulaC12H21BrN2S
Molecular Weight305.29 g/mol
Exact Mass304.06
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine
SMILESCCCCCCC(NN)c1cc(C)c(Br)s1
InChIInChI=1S/C12H21BrN2S/c1-3-4-5-6-7-10(15-14)11-8-9(2)12(13)16-11/h8,10,15H,3-7,14H2,1-2H3
InChIKeyIEIPMGWKKFOLFY-UHFFFAOYSA-N
XLogP4.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4,5-dibromothiophen-2-yl)decylhydrazine
CID 105293426
1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine
CID 79991435
1-(4,5-dimethylthiophen-2-yl)nonylhydrazine
CID 105294364
1-(4,5-dimethylthiophen-2-yl)decylhydrazine
CID 105293302
[1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine
CID 105300069
[1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105313942
[1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine
CID 114985173
1-(5-bromothiophen-2-yl)hexylhydrazine
CID 105222257
1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine
CID 115845955
1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79991988
1-(4-bromo-2-methylphenyl)octylhydrazine
CID 105293450
[1-(5-bromo-4-methylthiophen-2-yl)-2-phenylethyl]hydrazine
CID 105283168

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine (CID 105294058) is 1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine is CCCCCCC(NN)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine?
The InChIKey is IEIPMGWKKFOLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2S/c1-3-4-5-6-7-10(15-14)11-8-9(2)12(13)16-11/h8,10,15H,3-7,14H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine?
1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine has a molecular weight of 305.29 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine is sourced from PubChem (CID 105294058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).