2,3-dihydro-1,4-benzoxathiin-2-ylmethylhydrazine

C9H12N2OS — CID 130591216

IUPAC2,3-dihydro-1,4-benzoxathiin-2-ylmethylhydrazine
SMILESNNCC1CSc2ccccc2O1
InChIInChI=1S/C9H12N2OS/c10-11-5-7-6-13-9-4-2-1-3-8(9)12-7/h1-4,7,11H,5-6,10H2
InChIKeyWQOFHFKUXOYDMK-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.00
Rot. Bonds2

About 2,3-dihydro-1,4-benzoxathiin-2-ylmethylhydrazine

2,3-dihydro-1,4-benzoxathiin-2-ylmethylhydrazine (PubChem CID 130591216) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzoxathiin-2-ylmethylhydrazine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzoxathiin-2-ylmethylhydrazine
PubChem CID130591216
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name2,3-dihydro-1,4-benzoxathiin-2-ylmethylhydrazine
SMILESNNCC1CSc2ccccc2O1
InChIInChI=1S/C9H12N2OS/c10-11-5-7-6-13-9-4-2-1-3-8(9)12-7/h1-4,7,11H,5-6,10H2
InChIKeyWQOFHFKUXOYDMK-UHFFFAOYSA-N
XLogP1.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.00
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

[(2R)-2,3-dihydro-1,4-benzoxathiin-2-yl]methanamine
CID 124675053
[(2S)-2,3-dihydro-1,4-benzoxathiin-2-yl]methanol;ethane
CID 90894780
potassium 2-[2,3-dihydro-1,4-benzoxathiin-2-ylmethylcarbamoyl(methyl)amino]acetate
CID 138036611
2-(2,3-dihydro-1,4-benzoxathiin-2-ylmethylamino)-4-methyl-1H-pyrimidin-6-one
CID 138006564
[4-[(2,3-dihydro-1,4-benzoxathiin-2-ylmethylamino)methyl]piperidin-1-yl]-phenylmethanone
CID 67821613
2-phenyl-2,3-dihydro-1,4-benzoxathiine
CID 10398900
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine
CID 106602161
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine
CID 107895416
N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine
CID 21055364
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylbutan-1-amine
CID 106601197
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-methylidenepentyl]hydrazine
CID 106602324
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)heptylhydrazine
CID 106602182

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzoxathiin-2-ylmethylhydrazine?
The IUPAC name of 2,3-dihydro-1,4-benzoxathiin-2-ylmethylhydrazine (CID 130591216) is 2,3-dihydro-1,4-benzoxathiin-2-ylmethylhydrazine.
What is the SMILES notation for 2,3-dihydro-1,4-benzoxathiin-2-ylmethylhydrazine?
The canonical SMILES for 2,3-dihydro-1,4-benzoxathiin-2-ylmethylhydrazine is NNCC1CSc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1,4-benzoxathiin-2-ylmethylhydrazine?
The InChIKey is WQOFHFKUXOYDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c10-11-5-7-6-13-9-4-2-1-3-8(9)12-7/h1-4,7,11H,5-6,10H2.
What are the key properties of 2,3-dihydro-1,4-benzoxathiin-2-ylmethylhydrazine?
2,3-dihydro-1,4-benzoxathiin-2-ylmethylhydrazine has a molecular weight of 196.28 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzoxathiin-2-ylmethylhydrazine is sourced from PubChem (CID 130591216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).