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

C13H20N2S2 — CID 105249241

IUPAC[1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
SMILESCc1cccc(CC(NN)C2CSCCS2)c1
InChIInChI=1S/C13H20N2S2/c1-10-3-2-4-11(7-10)8-12(15-14)13-9-16-5-6-17-13/h2-4,7,12-13,15H,5-6,8-9,14H2,1H3
InChIKeyUDZWXZHHANIUPO-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.22
Rot. Bonds4

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

[1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine (PubChem CID 105249241) has the molecular formula C13H20N2S2 and a molecular weight of 268.45 g/mol. Its IUPAC name is [1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
PubChem CID105249241
Molecular FormulaC13H20N2S2
Molecular Weight268.45 g/mol
Exact Mass268.11
IUPAC Name[1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
SMILESCc1cccc(CC(NN)C2CSCCS2)c1
InChIInChI=1S/C13H20N2S2/c1-10-3-2-4-11(7-10)8-12(15-14)13-9-16-5-6-17-13/h2-4,7,12-13,15H,5-6,8-9,14H2,1H3
InChIKeyUDZWXZHHANIUPO-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.22
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'}

Analyze [1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,4-dithian-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 79971420
[1-(1,4-dithian-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105249365
1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine
CID 79971754
[2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 107895212
[2-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249447
[1-(2,2-dimethylcyclopropyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 107005554
N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine
CID 80627266
[1-(2-methylcyclopentyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 107193333
[1-(2,3-dihydro-1H-inden-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105234150
4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine
CID 79966342
[1-(3,5-dimethylphenyl)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105208894
[2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249387

Frequently Asked Questions

What is the IUPAC name of [1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine?
The IUPAC name of [1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine (CID 105249241) is [1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine is Cc1cccc(CC(NN)C2CSCCS2)c1.
What is the InChIKey of [1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine?
The InChIKey is UDZWXZHHANIUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S2/c1-10-3-2-4-11(7-10)8-12(15-14)13-9-16-5-6-17-13/h2-4,7,12-13,15H,5-6,8-9,14H2,1H3.
What are the key properties of [1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine?
[1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine has a molecular weight of 268.45 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105249241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).