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

C14H22N2OS2 — CID 103347185

IUPAC[(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccccc1C(NN)C1CSC(C)C(C)S1
InChIInChI=1S/C14H22N2OS2/c1-9-10(2)19-13(8-18-9)14(16-15)11-6-4-5-7-12(11)17-3/h4-7,9-10,13-14,16H,8,15H2,1-3H3
InChIKeyINQYOGOFQLVLDJ-UHFFFAOYSA-N
MW298.48 g/mol
LogP2.83
Rot. Bonds4

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

[(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine (PubChem CID 103347185) has the molecular formula C14H22N2OS2 and a molecular weight of 298.48 g/mol. Its IUPAC name is [(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine
PubChem CID103347185
Molecular FormulaC14H22N2OS2
Molecular Weight298.48 g/mol
Exact Mass298.12
IUPAC Name[(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccccc1C(NN)C1CSC(C)C(C)S1
InChIInChI=1S/C14H22N2OS2/c1-9-10(2)19-13(8-18-9)14(16-15)11-6-4-5-7-12(11)17-3/h4-7,9-10,13-14,16H,8,15H2,1-3H3
InChIKeyINQYOGOFQLVLDJ-UHFFFAOYSA-N
XLogP2.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 52.83
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

1-(2,6-dimethoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345808
[(3,5-dimethoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine
CID 103347267
[(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine
CID 107516548
3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine
CID 103347226
[(5,6-dimethyl-1,4-dithian-2-yl)-(4-ethoxyphenyl)methyl]hydrazine
CID 103347176
[(2-methoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105191189
[(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255403
1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 80626263
[(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 103347136
1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345806
[(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255493
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-5-ylmethanamine
CID 103345763

Frequently Asked Questions

What is the IUPAC name of [(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine (CID 103347185) is [(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine is COc1ccccc1C(NN)C1CSC(C)C(C)S1.
What is the InChIKey of [(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine?
The InChIKey is INQYOGOFQLVLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS2/c1-9-10(2)19-13(8-18-9)14(16-15)11-6-4-5-7-12(11)17-3/h4-7,9-10,13-14,16H,8,15H2,1-3H3.
What are the key properties of [(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine?
[(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine has a molecular weight of 298.48 g/mol, XLogP of 2.83, 4 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)-(2-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 103347185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).