[1-(5-chloro-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine

C16H15ClN2OS — CID 105228018

IUPAC[1-(5-chloro-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine
SMILESNNC(CSc1ccccc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H15ClN2OS/c17-12-6-7-15-11(8-12)9-16(20-15)14(19-18)10-21-13-4-2-1-3-5-13/h1-9,14,19H,10,18H2
InChIKeyGKHARKNAUXZCCG-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.38
Rot. Bonds5

About [1-(5-chloro-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine

[1-(5-chloro-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine (PubChem CID 105228018) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is [1-(5-chloro-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine
PubChem CID105228018
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name[1-(5-chloro-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine
SMILESNNC(CSc1ccccc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H15ClN2OS/c17-12-6-7-15-11(8-12)9-16(20-15)14(19-18)10-21-13-4-2-1-3-5-13/h1-9,14,19H,10,18H2
InChIKeyGKHARKNAUXZCCG-UHFFFAOYSA-N
XLogP4.38
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(5-chloro-1-benzofuran-2-yl)-2-phenoxyethyl]hydrazine
CID 105212912
[1-(4-chlorophenyl)-2-phenylsulfanylethyl]hydrazine
CID 105228100
1-(5-chloro-1-benzofuran-2-yl)butylhydrazine
CID 105202028
[1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine
CID 105228017
[1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105211760
2-(3-bromophenyl)sulfanyl-1-(5-chloro-1-benzofuran-2-yl)ethanol
CID 114726811
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine
CID 114728420
2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726793
[2-chloro-1-(5-chloro-1-benzofuran-2-yl)-2,2-difluoroethyl]hydrazine
CID 105265344
[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105338486
[1-(1-benzofuran-2-yl)-2-phenylethyl]hydrazine
CID 105195415
(1-naphthalen-1-yl-2-phenylsulfanylethyl)hydrazine
CID 105228218

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine?
The IUPAC name of [1-(5-chloro-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine (CID 105228018) is [1-(5-chloro-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine.
What is the SMILES notation for [1-(5-chloro-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine?
The canonical SMILES for [1-(5-chloro-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine is NNC(CSc1ccccc1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of [1-(5-chloro-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine?
The InChIKey is GKHARKNAUXZCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c17-12-6-7-15-11(8-12)9-16(20-15)14(19-18)10-21-13-4-2-1-3-5-13/h1-9,14,19H,10,18H2.
What are the key properties of [1-(5-chloro-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine?
[1-(5-chloro-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine has a molecular weight of 318.83 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine is sourced from PubChem (CID 105228018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).