[1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine

C17H18N2OS — CID 105228017

IUPAC[1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine
SMILESCc1cccc2cc(C(CSc3ccccc3)NN)oc12
InChIInChI=1S/C17H18N2OS/c1-12-6-5-7-13-10-16(20-17(12)13)15(19-18)11-21-14-8-3-2-4-9-14/h2-10,15,19H,11,18H2,1H3
InChIKeyCPLWRTKEIZVRRE-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.04
Rot. Bonds5

About [1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine

[1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine (PubChem CID 105228017) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is [1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine
PubChem CID105228017
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name[1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine
SMILESCc1cccc2cc(C(CSc3ccccc3)NN)oc12
InChIInChI=1S/C17H18N2OS/c1-12-6-5-7-13-10-16(20-17(12)13)15(19-18)11-21-14-8-3-2-4-9-14/h2-10,15,19H,11,18H2,1H3
InChIKeyCPLWRTKEIZVRRE-UHFFFAOYSA-N
XLogP4.04
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.04
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-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethyl]hydrazine
CID 105212911
1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine
CID 114729408
[2-ethoxy-1-(7-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235204
[4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105235506
[1-(5-chloro-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine
CID 105228018
[1-(7-methyl-1-benzofuran-2-yl)-2-propoxyethyl]hydrazine
CID 105209906
(1-naphthalen-1-yl-2-phenylsulfanylethyl)hydrazine
CID 105228218
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 114728964
[2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105225526
2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114728880
[(7-methyl-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methyl]hydrazine
CID 105268934
[(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196376

Frequently Asked Questions

What is the IUPAC name of [1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine?
The IUPAC name of [1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine (CID 105228017) is [1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine.
What is the SMILES notation for [1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine?
The canonical SMILES for [1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine is Cc1cccc2cc(C(CSc3ccccc3)NN)oc12.
What is the InChIKey of [1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine?
The InChIKey is CPLWRTKEIZVRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12-6-5-7-13-10-16(20-17(12)13)15(19-18)11-21-14-8-3-2-4-9-14/h2-10,15,19H,11,18H2,1H3.
What are the key properties of [1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine?
[1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine has a molecular weight of 298.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine is sourced from PubChem (CID 105228017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).