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

C13H20N2OS — CID 105249716

IUPAC[(3,4-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CSCCO2)cc1C
InChIInChI=1S/C13H20N2OS/c1-9-3-4-11(7-10(9)2)13(15-14)12-8-17-6-5-16-12/h3-4,7,12-13,15H,5-6,8,14H2,1-2H3
InChIKeyQYMBWFYMNHQKGG-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.94
Rot. Bonds3

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

[(3,4-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine (PubChem CID 105249716) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is [(3,4-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3,4-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
PubChem CID105249716
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name[(3,4-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CSCCO2)cc1C
InChIInChI=1S/C13H20N2OS/c1-9-3-4-11(7-10(9)2)13(15-14)12-8-17-6-5-16-12/h3-4,7,12-13,15H,5-6,8,14H2,1-2H3
InChIKeyQYMBWFYMNHQKGG-UHFFFAOYSA-N
XLogP1.94
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.94
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-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249537
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249499
[(2-fluoro-5-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249535
[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]hydrazine
CID 102654255
N-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 79962439
N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine
CID 81231155
[(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine
CID 107131023
1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105140321
N-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine
CID 79963028
[(3-fluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methyl]hydrazine
CID 107130834
[6-bicyclo[3.1.0]hexanyl-(3,4-dimethylphenyl)methyl]hydrazine
CID 105300274
2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine
CID 105374163

Frequently Asked Questions

What is the IUPAC name of [(3,4-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine?
The IUPAC name of [(3,4-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine (CID 105249716) is [(3,4-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3,4-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine?
The canonical SMILES for [(3,4-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine is Cc1ccc(C(NN)C2CSCCO2)cc1C.
What is the InChIKey of [(3,4-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine?
The InChIKey is QYMBWFYMNHQKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-3-4-11(7-10(9)2)13(15-14)12-8-17-6-5-16-12/h3-4,7,12-13,15H,5-6,8,14H2,1-2H3.
What are the key properties of [(3,4-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine?
[(3,4-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine has a molecular weight of 252.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,4-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105249716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).