[1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine

C14H22N2OS — CID 114985281

IUPAC[1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine
SMILESCSCCC(CC1OCCc2ccccc21)NN
InChIInChI=1S/C14H22N2OS/c1-18-9-7-12(16-15)10-14-13-5-3-2-4-11(13)6-8-17-14/h2-5,12,14,16H,6-10,15H2,1H3
InChIKeyJRKWHFMZKCMTDF-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.28
Rot. Bonds6

About [1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine

[1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine (PubChem CID 114985281) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is [1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine
PubChem CID114985281
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name[1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine
SMILESCSCCC(CC1OCCc2ccccc21)NN
InChIInChI=1S/C14H22N2OS/c1-18-9-7-12(16-15)10-14-13-5-3-2-4-11(13)6-8-17-14/h2-5,12,14,16H,6-10,15H2,1H3
InChIKeyJRKWHFMZKCMTDF-UHFFFAOYSA-N
XLogP2.28
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine?
The IUPAC name of [1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine (CID 114985281) is [1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine is CSCCC(CC1OCCc2ccccc21)NN.
What is the InChIKey of [1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine?
The InChIKey is JRKWHFMZKCMTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-18-9-7-12(16-15)10-14-13-5-3-2-4-11(13)6-8-17-14/h2-5,12,14,16H,6-10,15H2,1H3.
What are the key properties of [1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine?
[1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine has a molecular weight of 266.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine is sourced from PubChem (CID 114985281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).