[(4-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine

C12H18N2OS — CID 105249537

IUPAC[(4-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CSCCO2)cc1
InChIInChI=1S/C12H18N2OS/c1-9-2-4-10(5-3-9)12(14-13)11-8-16-7-6-15-11/h2-5,11-12,14H,6-8,13H2,1H3
InChIKeyBTEONRBLLHLVRS-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.63
Rot. Bonds3

About [(4-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine

[(4-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine (PubChem CID 105249537) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is [(4-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
PubChem CID105249537
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name[(4-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CSCCO2)cc1
InChIInChI=1S/C12H18N2OS/c1-9-2-4-10(5-3-9)12(14-13)11-8-16-7-6-15-11/h2-5,11-12,14H,6-8,13H2,1H3
InChIKeyBTEONRBLLHLVRS-UHFFFAOYSA-N
XLogP1.63
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.63
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

[(3,4-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249716
[(2-fluoro-5-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249535
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249499
[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]hydrazine
CID 102654255
N-[(4-cyclobutylphenyl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 116506328
N-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine
CID 79963028
1-(1,4-oxathian-2-yl)propylhydrazine
CID 105249656
(3,5-dimethylphenyl)-(1,4-oxathian-2-yl)methanol
CID 79963902
N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine
CID 81231155
[1-(1,4-oxathian-2-yl)-2-phenylethyl]hydrazine
CID 105249482
[3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine
CID 105249480
(1R)-1-(1,4-oxathian-2-yl)ethanamine
CID 104932096

Frequently Asked Questions

What is the IUPAC name of [(4-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine?
The IUPAC name of [(4-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine (CID 105249537) is [(4-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine is Cc1ccc(C(NN)C2CSCCO2)cc1.
What is the InChIKey of [(4-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine?
The InChIKey is BTEONRBLLHLVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-2-4-10(5-3-9)12(14-13)11-8-16-7-6-15-11/h2-5,11-12,14H,6-8,13H2,1H3.
What are the key properties of [(4-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine?
[(4-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine has a molecular weight of 238.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105249537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).