[1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-enyl]hydrazine

C9H12Br2N2S — CID 105319938

IUPAC[1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H12Br2N2S/c1-5(2)3-7(13-12)8-4-6(10)9(11)14-8/h3-4,7,13H,12H2,1-2H3
InChIKeyFJDMEPOGHNEZFY-UHFFFAOYSA-N
MW340.08 g/mol
LogP3.74
Rot. Bonds3

About [1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-enyl]hydrazine

[1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-enyl]hydrazine (PubChem CID 105319938) has the molecular formula C9H12Br2N2S and a molecular weight of 340.08 g/mol. Its IUPAC name is [1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-enyl]hydrazine.

Molecular Properties

Compound Name[1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-enyl]hydrazine
PubChem CID105319938
Molecular FormulaC9H12Br2N2S
Molecular Weight340.08 g/mol
Exact Mass337.91
IUPAC Name[1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H12Br2N2S/c1-5(2)3-7(13-12)8-4-6(10)9(11)14-8/h3-4,7,13H,12H2,1-2H3
InChIKeyFJDMEPOGHNEZFY-UHFFFAOYSA-N
XLogP3.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.08
LogP ≤ 53.74
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-(5-bromo-4-methylthiophen-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105319885
1-(4,5-dibromothiophen-2-yl)ethylhydrazine
CID 105282646
[1-(5-bromofuran-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105319933
[(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105318815
[1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105319774
1-(4,5-dibromothiophen-2-yl)decylhydrazine
CID 105293426
[(4,5-dibromothiophen-2-yl)-thiophen-2-ylmethyl]hydrazine
CID 105287631
[(4-chloro-1-methylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine
CID 105338959
1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
CID 102838170
[3-methyl-1-(3,4,5-trifluorophenyl)but-2-enyl]hydrazine
CID 105208223
[3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine
CID 105251950
2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
CID 103846013

Frequently Asked Questions

What is the IUPAC name of [1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-enyl]hydrazine?
The IUPAC name of [1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-enyl]hydrazine (CID 105319938) is [1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-enyl]hydrazine.
What is the SMILES notation for [1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-enyl]hydrazine?
The canonical SMILES for [1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-enyl]hydrazine is CC(C)=CC(NN)c1cc(Br)c(Br)s1.
What is the InChIKey of [1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-enyl]hydrazine?
The InChIKey is FJDMEPOGHNEZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2N2S/c1-5(2)3-7(13-12)8-4-6(10)9(11)14-8/h3-4,7,13H,12H2,1-2H3.
What are the key properties of [1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-enyl]hydrazine?
[1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-enyl]hydrazine has a molecular weight of 340.08 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-enyl]hydrazine is sourced from PubChem (CID 105319938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).