[1-(5-bromo-4-methylthiophen-2-yl)-3-methylbut-2-enyl]hydrazine

C10H15BrN2S — CID 105319885

IUPAC[1-(5-bromo-4-methylthiophen-2-yl)-3-methylbut-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1cc(C)c(Br)s1
InChIInChI=1S/C10H15BrN2S/c1-6(2)4-8(13-12)9-5-7(3)10(11)14-9/h4-5,8,13H,12H2,1-3H3
InChIKeyNKQFQRIAWAGHKC-UHFFFAOYSA-N
MW275.22 g/mol
LogP3.29
Rot. Bonds3

About [1-(5-bromo-4-methylthiophen-2-yl)-3-methylbut-2-enyl]hydrazine

[1-(5-bromo-4-methylthiophen-2-yl)-3-methylbut-2-enyl]hydrazine (PubChem CID 105319885) has the molecular formula C10H15BrN2S and a molecular weight of 275.22 g/mol. Its IUPAC name is [1-(5-bromo-4-methylthiophen-2-yl)-3-methylbut-2-enyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-4-methylthiophen-2-yl)-3-methylbut-2-enyl]hydrazine
PubChem CID105319885
Molecular FormulaC10H15BrN2S
Molecular Weight275.22 g/mol
Exact Mass274.01
IUPAC Name[1-(5-bromo-4-methylthiophen-2-yl)-3-methylbut-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1cc(C)c(Br)s1
InChIInChI=1S/C10H15BrN2S/c1-6(2)4-8(13-12)9-5-7(3)10(11)14-9/h4-5,8,13H,12H2,1-3H3
InChIKeyNKQFQRIAWAGHKC-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105319938
[1-(5-bromo-4-methylthiophen-2-yl)-2-methylpropyl]hydrazine
CID 105281749
[3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine
CID 105251950
N-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine
CID 130143336
1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol
CID 115814756
(1S)-1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-amine
CID 131039487
[1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105313942
[1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine
CID 105300069
1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine
CID 105294058
[(5-bromo-4-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107516730
[1-(5-bromo-4-methylthiophen-2-yl)-2-phenylethyl]hydrazine
CID 105283168
[1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine
CID 114985173

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-4-methylthiophen-2-yl)-3-methylbut-2-enyl]hydrazine?
The IUPAC name of [1-(5-bromo-4-methylthiophen-2-yl)-3-methylbut-2-enyl]hydrazine (CID 105319885) is [1-(5-bromo-4-methylthiophen-2-yl)-3-methylbut-2-enyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-4-methylthiophen-2-yl)-3-methylbut-2-enyl]hydrazine?
The canonical SMILES for [1-(5-bromo-4-methylthiophen-2-yl)-3-methylbut-2-enyl]hydrazine is CC(C)=CC(NN)c1cc(C)c(Br)s1.
What is the InChIKey of [1-(5-bromo-4-methylthiophen-2-yl)-3-methylbut-2-enyl]hydrazine?
The InChIKey is NKQFQRIAWAGHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-6(2)4-8(13-12)9-5-7(3)10(11)14-9/h4-5,8,13H,12H2,1-3H3.
What are the key properties of [1-(5-bromo-4-methylthiophen-2-yl)-3-methylbut-2-enyl]hydrazine?
[1-(5-bromo-4-methylthiophen-2-yl)-3-methylbut-2-enyl]hydrazine has a molecular weight of 275.22 g/mol, XLogP of 3.29, 3 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)-3-methylbut-2-enyl]hydrazine is sourced from PubChem (CID 105319885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).