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

C14H22N2S2 — CID 105259569

IUPAC[1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
SMILESCc1ccccc1CC(NN)C1SCCSC1C
InChIInChI=1S/C14H22N2S2/c1-10-5-3-4-6-12(10)9-13(16-15)14-11(2)17-7-8-18-14/h3-6,11,13-14,16H,7-9,15H2,1-2H3
InChIKeyGKAGSWOXOXDVNY-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.61
Rot. Bonds4

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

[1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine (PubChem CID 105259569) has the molecular formula C14H22N2S2 and a molecular weight of 282.48 g/mol. Its IUPAC name is [1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
PubChem CID105259569
Molecular FormulaC14H22N2S2
Molecular Weight282.48 g/mol
Exact Mass282.12
IUPAC Name[1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
SMILESCc1ccccc1CC(NN)C1SCCSC1C
InChIInChI=1S/C14H22N2S2/c1-10-5-3-4-6-12(10)9-13(16-15)14-11(2)17-7-8-18-14/h3-6,11,13-14,16H,7-9,15H2,1-2H3
InChIKeyGKAGSWOXOXDVNY-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.61
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

[2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259504
[1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105259452
[1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine
CID 105259589
[2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259734
[(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine
CID 105259440
[2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259686
4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine
CID 105259577
[1-(3-methyl-1,4-dithian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105259545
[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105259997
N-[2-(2-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 115387355
2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115386935
1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 79966538

Frequently Asked Questions

What is the IUPAC name of [1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine?
The IUPAC name of [1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine (CID 105259569) is [1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine is Cc1ccccc1CC(NN)C1SCCSC1C.
What is the InChIKey of [1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine?
The InChIKey is GKAGSWOXOXDVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S2/c1-10-5-3-4-6-12(10)9-13(16-15)14-11(2)17-7-8-18-14/h3-6,11,13-14,16H,7-9,15H2,1-2H3.
What are the key properties of [1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine?
[1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine has a molecular weight of 282.48 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105259569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).