[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine

C13H20N2OS — CID 105213803

IUPAC[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine
SMILESCSCC(CCc1ccc2c(c1)CCO2)NN
InChIInChI=1S/C13H20N2OS/c1-17-9-12(15-14)4-2-10-3-5-13-11(8-10)6-7-16-13/h3,5,8,12,15H,2,4,6-7,9,14H2,1H3
InChIKeyWYRNSKUWNNILHO-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.75
Rot. Bonds6

About [4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine

[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine (PubChem CID 105213803) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is [4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine
PubChem CID105213803
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine
SMILESCSCC(CCc1ccc2c(c1)CCO2)NN
InChIInChI=1S/C13H20N2OS/c1-17-9-12(15-14)4-2-10-3-5-13-11(8-10)6-7-16-13/h3,5,8,12,15H,2,4,6-7,9,14H2,1H3
InChIKeyWYRNSKUWNNILHO-UHFFFAOYSA-N
XLogP1.75
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.75
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

[4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethoxybutan-2-yl]hydrazine
CID 105235222
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 65445719
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxy-N-methylpentan-3-amine
CID 65445330
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine
CID 65444946
[4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine
CID 105265014
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105198529
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105214147
[1-cyclopropyl-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
CID 105202382
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-ethylfuran-2-yl)propyl]hydrazine
CID 105310456
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine
CID 65447030
1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine
CID 65445712
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methylfuran-2-yl)propyl]hydrazine
CID 105310452

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine?
The IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine (CID 105213803) is [4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine.
What is the SMILES notation for [4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine?
The canonical SMILES for [4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine is CSCC(CCc1ccc2c(c1)CCO2)NN.
What is the InChIKey of [4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine?
The InChIKey is WYRNSKUWNNILHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-17-9-12(15-14)4-2-10-3-5-13-11(8-10)6-7-16-13/h3,5,8,12,15H,2,4,6-7,9,14H2,1H3.
What are the key properties of [4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine?
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine has a molecular weight of 252.38 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine is sourced from PubChem (CID 105213803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).