[(3-ethyl-1,4-dithian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine

C15H24N2OS2 — CID 105259892

IUPAC[(3-ethyl-1,4-dithian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine
SMILESCCC1SCCSC1C(NN)c1cc(C)ccc1OC
InChIInChI=1S/C15H24N2OS2/c1-4-13-15(20-8-7-19-13)14(17-16)11-9-10(2)5-6-12(11)18-3/h5-6,9,13-15,17H,4,7-8,16H2,1-3H3
InChIKeyQNJIBQNCJXGJKJ-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.14
Rot. Bonds5

About [(3-ethyl-1,4-dithian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine

[(3-ethyl-1,4-dithian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine (PubChem CID 105259892) has the molecular formula C15H24N2OS2 and a molecular weight of 312.50 g/mol. Its IUPAC name is [(3-ethyl-1,4-dithian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-ethyl-1,4-dithian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine
PubChem CID105259892
Molecular FormulaC15H24N2OS2
Molecular Weight312.50 g/mol
Exact Mass312.13
IUPAC Name[(3-ethyl-1,4-dithian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine
SMILESCCC1SCCSC1C(NN)c1cc(C)ccc1OC
InChIInChI=1S/C15H24N2OS2/c1-4-13-15(20-8-7-19-13)14(17-16)11-9-10(2)5-6-12(11)18-3/h5-6,9,13-15,17H,4,7-8,16H2,1-3H3
InChIKeyQNJIBQNCJXGJKJ-UHFFFAOYSA-N
XLogP3.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[(2-methoxy-5-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]ethanamine
CID 115387172
[(2-methoxy-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105303576
(2,5-dimethoxyphenyl)-(3-ethyl-1,4-dithian-2-yl)methanol
CID 115386537
[(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105260045
1-hydrazinyl-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 116961705
[2-ethyl-1-(2-methoxy-5-methylphenyl)butyl]hydrazine
CID 105303451
N-[(2-methoxy-5-methylphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80626306
[2,3-dihydro-1-benzofuran-2-yl-(2-methoxy-5-methylphenyl)methyl]hydrazine
CID 105262926
[(1,1-dioxothian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine
CID 105303562
N-[(5-fluoro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]ethanamine
CID 82770730
1-(3-ethyl-1,4-dithian-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 103395776
N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 65018169

Frequently Asked Questions

What is the IUPAC name of [(3-ethyl-1,4-dithian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine?
The IUPAC name of [(3-ethyl-1,4-dithian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine (CID 105259892) is [(3-ethyl-1,4-dithian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [(3-ethyl-1,4-dithian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine?
The canonical SMILES for [(3-ethyl-1,4-dithian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine is CCC1SCCSC1C(NN)c1cc(C)ccc1OC.
What is the InChIKey of [(3-ethyl-1,4-dithian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine?
The InChIKey is QNJIBQNCJXGJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS2/c1-4-13-15(20-8-7-19-13)14(17-16)11-9-10(2)5-6-12(11)18-3/h5-6,9,13-15,17H,4,7-8,16H2,1-3H3.
What are the key properties of [(3-ethyl-1,4-dithian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine?
[(3-ethyl-1,4-dithian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine has a molecular weight of 312.50 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-ethyl-1,4-dithian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105259892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).