(5-fluoro-1-benzothiophen-7-yl)methylidenehydrazine

C9H7FN2S — CID 168531154

IUPAC(5-fluoro-1-benzothiophen-7-yl)methylidenehydrazine
SMILESNN=Cc1cc(F)cc2ccsc12
InChIInChI=1S/C9H7FN2S/c10-8-3-6-1-2-13-9(6)7(4-8)5-12-11/h1-5H,11H2
InChIKeyDGTBWZVHRNFVHI-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.33
Rot. Bonds1

About (5-fluoro-1-benzothiophen-7-yl)methylidenehydrazine

(5-fluoro-1-benzothiophen-7-yl)methylidenehydrazine (PubChem CID 168531154) has the molecular formula C9H7FN2S and a molecular weight of 194.23 g/mol. Its IUPAC name is (5-fluoro-1-benzothiophen-7-yl)methylidenehydrazine.

Molecular Properties

Compound Name(5-fluoro-1-benzothiophen-7-yl)methylidenehydrazine
PubChem CID168531154
Molecular FormulaC9H7FN2S
Molecular Weight194.23 g/mol
Exact Mass194.03
IUPAC Name(5-fluoro-1-benzothiophen-7-yl)methylidenehydrazine
SMILESNN=Cc1cc(F)cc2ccsc12
InChIInChI=1S/C9H7FN2S/c10-8-3-6-1-2-13-9(6)7(4-8)5-12-11/h1-5H,11H2
InChIKeyDGTBWZVHRNFVHI-UHFFFAOYSA-N
XLogP2.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.33
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 (5-fluoro-1-benzothiophen-7-yl)methylidenehydrazine?
The IUPAC name of (5-fluoro-1-benzothiophen-7-yl)methylidenehydrazine (CID 168531154) is (5-fluoro-1-benzothiophen-7-yl)methylidenehydrazine.
What is the SMILES notation for (5-fluoro-1-benzothiophen-7-yl)methylidenehydrazine?
The canonical SMILES for (5-fluoro-1-benzothiophen-7-yl)methylidenehydrazine is NN=Cc1cc(F)cc2ccsc12.
What is the InChIKey of (5-fluoro-1-benzothiophen-7-yl)methylidenehydrazine?
The InChIKey is DGTBWZVHRNFVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2S/c10-8-3-6-1-2-13-9(6)7(4-8)5-12-11/h1-5H,11H2.
What are the key properties of (5-fluoro-1-benzothiophen-7-yl)methylidenehydrazine?
(5-fluoro-1-benzothiophen-7-yl)methylidenehydrazine has a molecular weight of 194.23 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzothiophen-7-yl)methylidenehydrazine is sourced from PubChem (CID 168531154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).