[1-(5-chlorothiophen-2-yl)-2-phenylethyl]hydrazine

C12H13ClN2S — CID 105195292

IUPAC[1-(5-chlorothiophen-2-yl)-2-phenylethyl]hydrazine
SMILESNNC(Cc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2S/c13-12-7-6-11(16-12)10(15-14)8-9-4-2-1-3-5-9/h1-7,10,15H,8,14H2
InChIKeyQZKJIAKTKIOWKS-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.15
Rot. Bonds4

About [1-(5-chlorothiophen-2-yl)-2-phenylethyl]hydrazine

[1-(5-chlorothiophen-2-yl)-2-phenylethyl]hydrazine (PubChem CID 105195292) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is [1-(5-chlorothiophen-2-yl)-2-phenylethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-chlorothiophen-2-yl)-2-phenylethyl]hydrazine
PubChem CID105195292
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name[1-(5-chlorothiophen-2-yl)-2-phenylethyl]hydrazine
SMILESNNC(Cc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2S/c13-12-7-6-11(16-12)10(15-14)8-9-4-2-1-3-5-9/h1-7,10,15H,8,14H2
InChIKeyQZKJIAKTKIOWKS-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 [1-(5-chlorothiophen-2-yl)-2-phenylethyl]hydrazine?
The IUPAC name of [1-(5-chlorothiophen-2-yl)-2-phenylethyl]hydrazine (CID 105195292) is [1-(5-chlorothiophen-2-yl)-2-phenylethyl]hydrazine.
What is the SMILES notation for [1-(5-chlorothiophen-2-yl)-2-phenylethyl]hydrazine?
The canonical SMILES for [1-(5-chlorothiophen-2-yl)-2-phenylethyl]hydrazine is NNC(Cc1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of [1-(5-chlorothiophen-2-yl)-2-phenylethyl]hydrazine?
The InChIKey is QZKJIAKTKIOWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c13-12-7-6-11(16-12)10(15-14)8-9-4-2-1-3-5-9/h1-7,10,15H,8,14H2.
What are the key properties of [1-(5-chlorothiophen-2-yl)-2-phenylethyl]hydrazine?
[1-(5-chlorothiophen-2-yl)-2-phenylethyl]hydrazine has a molecular weight of 252.77 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chlorothiophen-2-yl)-2-phenylethyl]hydrazine is sourced from PubChem (CID 105195292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).