[(5,6-dimethyl-1,4-dithian-2-yl)-(4-ethoxyphenyl)methyl]hydrazine

C15H24N2OS2 — CID 103347176

IUPAC[(5,6-dimethyl-1,4-dithian-2-yl)-(4-ethoxyphenyl)methyl]hydrazine
SMILESCCOc1ccc(C(NN)C2CSC(C)C(C)S2)cc1
InChIInChI=1S/C15H24N2OS2/c1-4-18-13-7-5-12(6-8-13)15(17-16)14-9-19-10(2)11(3)20-14/h5-8,10-11,14-15,17H,4,9,16H2,1-3H3
InChIKeyFAWWXUAPRPGUAH-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.22
Rot. Bonds5

About [(5,6-dimethyl-1,4-dithian-2-yl)-(4-ethoxyphenyl)methyl]hydrazine

[(5,6-dimethyl-1,4-dithian-2-yl)-(4-ethoxyphenyl)methyl]hydrazine (PubChem CID 103347176) has the molecular formula C15H24N2OS2 and a molecular weight of 312.50 g/mol. Its IUPAC name is [(5,6-dimethyl-1,4-dithian-2-yl)-(4-ethoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5,6-dimethyl-1,4-dithian-2-yl)-(4-ethoxyphenyl)methyl]hydrazine
PubChem CID103347176
Molecular FormulaC15H24N2OS2
Molecular Weight312.50 g/mol
Exact Mass312.13
IUPAC Name[(5,6-dimethyl-1,4-dithian-2-yl)-(4-ethoxyphenyl)methyl]hydrazine
SMILESCCOc1ccc(C(NN)C2CSC(C)C(C)S2)cc1
InChIInChI=1S/C15H24N2OS2/c1-4-18-13-7-5-12(6-8-13)15(17-16)14-9-19-10(2)11(3)20-14/h5-8,10-11,14-15,17H,4,9,16H2,1-3H3
InChIKeyFAWWXUAPRPGUAH-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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

[(4-ethoxyphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233127
[(4-ethoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232452
[(4-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105300777
[(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 103347136
[(4,4-difluorocyclohexyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105300749
N-[(4-ethoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]propan-1-amine
CID 115387279
1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105140814
N-[(4-ethoxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80627828
[(2-methylcyclopropyl)-(4-propoxyphenyl)methyl]hydrazine
CID 105235034
[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255443
[1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105249296
[(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249218

Frequently Asked Questions

What is the IUPAC name of [(5,6-dimethyl-1,4-dithian-2-yl)-(4-ethoxyphenyl)methyl]hydrazine?
The IUPAC name of [(5,6-dimethyl-1,4-dithian-2-yl)-(4-ethoxyphenyl)methyl]hydrazine (CID 103347176) is [(5,6-dimethyl-1,4-dithian-2-yl)-(4-ethoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(5,6-dimethyl-1,4-dithian-2-yl)-(4-ethoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(5,6-dimethyl-1,4-dithian-2-yl)-(4-ethoxyphenyl)methyl]hydrazine is CCOc1ccc(C(NN)C2CSC(C)C(C)S2)cc1.
What is the InChIKey of [(5,6-dimethyl-1,4-dithian-2-yl)-(4-ethoxyphenyl)methyl]hydrazine?
The InChIKey is FAWWXUAPRPGUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS2/c1-4-18-13-7-5-12(6-8-13)15(17-16)14-9-19-10(2)11(3)20-14/h5-8,10-11,14-15,17H,4,9,16H2,1-3H3.
What are the key properties of [(5,6-dimethyl-1,4-dithian-2-yl)-(4-ethoxyphenyl)methyl]hydrazine?
[(5,6-dimethyl-1,4-dithian-2-yl)-(4-ethoxyphenyl)methyl]hydrazine has a molecular weight of 312.50 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5,6-dimethyl-1,4-dithian-2-yl)-(4-ethoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 103347176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).