[2,3-dihydro-1,4-benzoxathiin-2-yl-(2,4-dimethylphenyl)methyl]hydrazine

C17H20N2OS — CID 106602146

IUPAC[2,3-dihydro-1,4-benzoxathiin-2-yl-(2,4-dimethylphenyl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CSc3ccccc3O2)c(C)c1
InChIInChI=1S/C17H20N2OS/c1-11-7-8-13(12(2)9-11)17(19-18)15-10-21-16-6-4-3-5-14(16)20-15/h3-9,15,17,19H,10,18H2,1-2H3
InChIKeyMMQKUXVNCVHAFX-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.36
Rot. Bonds3

About [2,3-dihydro-1,4-benzoxathiin-2-yl-(2,4-dimethylphenyl)methyl]hydrazine

[2,3-dihydro-1,4-benzoxathiin-2-yl-(2,4-dimethylphenyl)methyl]hydrazine (PubChem CID 106602146) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is [2,3-dihydro-1,4-benzoxathiin-2-yl-(2,4-dimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1,4-benzoxathiin-2-yl-(2,4-dimethylphenyl)methyl]hydrazine
PubChem CID106602146
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name[2,3-dihydro-1,4-benzoxathiin-2-yl-(2,4-dimethylphenyl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CSc3ccccc3O2)c(C)c1
InChIInChI=1S/C17H20N2OS/c1-11-7-8-13(12(2)9-11)17(19-18)15-10-21-16-6-4-3-5-14(16)20-15/h3-9,15,17,19H,10,18H2,1-2H3
InChIKeyMMQKUXVNCVHAFX-UHFFFAOYSA-N
XLogP3.36
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.36
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

[2,3-dihydro-1,4-benzoxathiin-2-yl-(2,5-dimethylphenyl)methyl]hydrazine
CID 106602250
2,3-dihydro-1,4-benzoxathiin-2-yl-(2,5-dimethylphenyl)methanamine
CID 106601159
[2,3-dihydro-1,4-benzoxathiin-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 106602323
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 106601575
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 106602268
2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluoro-5-methylphenyl)methanamine
CID 106601347
[(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine
CID 106602173
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 106601546
[(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine
CID 106602256
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine
CID 107895416
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-methylbut-2-enyl]hydrazine
CID 106602260
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine
CID 106602161

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1,4-benzoxathiin-2-yl-(2,4-dimethylphenyl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1,4-benzoxathiin-2-yl-(2,4-dimethylphenyl)methyl]hydrazine (CID 106602146) is [2,3-dihydro-1,4-benzoxathiin-2-yl-(2,4-dimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1,4-benzoxathiin-2-yl-(2,4-dimethylphenyl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1,4-benzoxathiin-2-yl-(2,4-dimethylphenyl)methyl]hydrazine is Cc1ccc(C(NN)C2CSc3ccccc3O2)c(C)c1.
What is the InChIKey of [2,3-dihydro-1,4-benzoxathiin-2-yl-(2,4-dimethylphenyl)methyl]hydrazine?
The InChIKey is MMQKUXVNCVHAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-7-8-13(12(2)9-11)17(19-18)15-10-21-16-6-4-3-5-14(16)20-15/h3-9,15,17,19H,10,18H2,1-2H3.
What are the key properties of [2,3-dihydro-1,4-benzoxathiin-2-yl-(2,4-dimethylphenyl)methyl]hydrazine?
[2,3-dihydro-1,4-benzoxathiin-2-yl-(2,4-dimethylphenyl)methyl]hydrazine has a molecular weight of 300.43 g/mol, XLogP of 3.36, 3 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-yl-(2,4-dimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 106602146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).