(4-bromothiophen-2-yl)methylidenehydrazine

C5H5BrN2S — CID 20982222

IUPAC(4-bromothiophen-2-yl)methylidenehydrazine
SMILESNN=Cc1cc(Br)cs1
InChIInChI=1S/C5H5BrN2S/c6-4-1-5(2-8-7)9-3-4/h1-3H,7H2
InChIKeyOSBOTSNZXWOINB-UHFFFAOYSA-N
MW205.08 g/mol
LogP1.80
Rot. Bonds1

About (4-bromothiophen-2-yl)methylidenehydrazine

(4-bromothiophen-2-yl)methylidenehydrazine (PubChem CID 20982222) has the molecular formula C5H5BrN2S and a molecular weight of 205.08 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)methylidenehydrazine.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)methylidenehydrazine
PubChem CID20982222
Molecular FormulaC5H5BrN2S
Molecular Weight205.08 g/mol
Exact Mass203.94
IUPAC Name(4-bromothiophen-2-yl)methylidenehydrazine
SMILESNN=Cc1cc(Br)cs1
InChIInChI=1S/C5H5BrN2S/c6-4-1-5(2-8-7)9-3-4/h1-3H,7H2
InChIKeyOSBOTSNZXWOINB-UHFFFAOYSA-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 (4-bromothiophen-2-yl)methylidenehydrazine?
The IUPAC name of (4-bromothiophen-2-yl)methylidenehydrazine (CID 20982222) is (4-bromothiophen-2-yl)methylidenehydrazine.
What is the SMILES notation for (4-bromothiophen-2-yl)methylidenehydrazine?
The canonical SMILES for (4-bromothiophen-2-yl)methylidenehydrazine is NN=Cc1cc(Br)cs1.
What is the InChIKey of (4-bromothiophen-2-yl)methylidenehydrazine?
The InChIKey is OSBOTSNZXWOINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2S/c6-4-1-5(2-8-7)9-3-4/h1-3H,7H2.
What are the key properties of (4-bromothiophen-2-yl)methylidenehydrazine?
(4-bromothiophen-2-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 (4-bromothiophen-2-yl)methylidenehydrazine is sourced from PubChem (CID 20982222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).