(E)-(4-bromothiophen-3-yl)methylidenehydrazine

C5H5BrN2S — CID 119084662

IUPAC(E)-(4-bromothiophen-3-yl)methylidenehydrazine
SMILESN/N=C/c1cscc1Br
InChIInChI=1S/C5H5BrN2S/c6-5-3-9-2-4(5)1-8-7/h1-3H,7H2/b8-1+
InChIKeyGLIRVIWCYYYSOT-UNXLUWIOSA-N
MW205.08 g/mol
LogP1.80
Rot. Bonds1

About (E)-(4-bromothiophen-3-yl)methylidenehydrazine

(E)-(4-bromothiophen-3-yl)methylidenehydrazine (PubChem CID 119084662) has the molecular formula C5H5BrN2S and a molecular weight of 205.08 g/mol. Its IUPAC name is (E)-(4-bromothiophen-3-yl)methylidenehydrazine.

Molecular Properties

Compound Name(E)-(4-bromothiophen-3-yl)methylidenehydrazine
PubChem CID119084662
Molecular FormulaC5H5BrN2S
Molecular Weight205.08 g/mol
Exact Mass203.94
IUPAC Name(E)-(4-bromothiophen-3-yl)methylidenehydrazine
SMILESN/N=C/c1cscc1Br
InChIInChI=1S/C5H5BrN2S/c6-5-3-9-2-4(5)1-8-7/h1-3H,7H2/b8-1+
InChIKeyGLIRVIWCYYYSOT-UNXLUWIOSA-N
XLogP1.80
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-(4-bromothiophen-3-yl)methylidenehydrazine?
The IUPAC name of (E)-(4-bromothiophen-3-yl)methylidenehydrazine (CID 119084662) is (E)-(4-bromothiophen-3-yl)methylidenehydrazine.
What is the SMILES notation for (E)-(4-bromothiophen-3-yl)methylidenehydrazine?
The canonical SMILES for (E)-(4-bromothiophen-3-yl)methylidenehydrazine is N/N=C/c1cscc1Br.
What is the InChIKey of (E)-(4-bromothiophen-3-yl)methylidenehydrazine?
The InChIKey is GLIRVIWCYYYSOT-UNXLUWIOSA-N. The full InChI is InChI=1S/C5H5BrN2S/c6-5-3-9-2-4(5)1-8-7/h1-3H,7H2/b8-1+.
What are the key properties of (E)-(4-bromothiophen-3-yl)methylidenehydrazine?
(E)-(4-bromothiophen-3-yl)methylidenehydrazine has a molecular weight of 205.08 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(4-bromothiophen-3-yl)methylidenehydrazine is sourced from PubChem (CID 119084662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).