[1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine

C13H20N2OS — CID 105226295

IUPAC[1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine
SMILESCC(C)SCC(NN)c1cccc2c1OCC2
InChIInChI=1S/C13H20N2OS/c1-9(2)17-8-12(15-14)11-5-3-4-10-6-7-16-13(10)11/h3-5,9,12,15H,6-8,14H2,1-2H3
InChIKeySVALTSOACSPPNY-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.27
Rot. Bonds5

About [1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine

[1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine (PubChem CID 105226295) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine
PubChem CID105226295
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name[1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine
SMILESCC(C)SCC(NN)c1cccc2c1OCC2
InChIInChI=1S/C13H20N2OS/c1-9(2)17-8-12(15-14)11-5-3-4-10-6-7-16-13(10)11/h3-5,9,12,15H,6-8,14H2,1-2H3
InChIKeySVALTSOACSPPNY-UHFFFAOYSA-N
XLogP2.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.27
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-(3,4-dihydro-2H-chromen-8-yl)-2-methylsulfanylethyl]hydrazine
CID 105214067
[1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxypentyl]hydrazine
CID 105341860
[1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105208501
[2-cycloheptyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine
CID 105341787
[1-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198455
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine
CID 114745502
[1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-4-ylpropyl]hydrazine
CID 105341898
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 114745766
[1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxypropyl]hydrazine
CID 105223043
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
[1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylbutyl]hydrazine
CID 105341923

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine (CID 105226295) is [1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine is CC(C)SCC(NN)c1cccc2c1OCC2.
What is the InChIKey of [1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine?
The InChIKey is SVALTSOACSPPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(2)17-8-12(15-14)11-5-3-4-10-6-7-16-13(10)11/h3-5,9,12,15H,6-8,14H2,1-2H3.
What are the key properties of [1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine?
[1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine has a molecular weight of 252.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine is sourced from PubChem (CID 105226295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).