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

C12H17ClN2S2 — CID 105249447

IUPAC[2-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Cl)cc1)C1CSCCS1
InChIInChI=1S/C12H17ClN2S2/c13-10-3-1-9(2-4-10)7-11(15-14)12-8-16-5-6-17-12/h1-4,11-12,15H,5-8,14H2
InChIKeyYRSSGXBSBXZDNL-UHFFFAOYSA-N
MW288.87 g/mol
LogP2.56
Rot. Bonds4

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

[2-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine (PubChem CID 105249447) has the molecular formula C12H17ClN2S2 and a molecular weight of 288.87 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
PubChem CID105249447
Molecular FormulaC12H17ClN2S2
Molecular Weight288.87 g/mol
Exact Mass288.05
IUPAC Name[2-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Cl)cc1)C1CSCCS1
InChIInChI=1S/C12H17ClN2S2/c13-10-3-1-9(2-4-10)7-11(15-14)12-8-16-5-6-17-12/h1-4,11-12,15H,5-8,14H2
InChIKeyYRSSGXBSBXZDNL-UHFFFAOYSA-N
XLogP2.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.87
LogP ≤ 52.56
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

[1-(1,4-dithian-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105249365
[2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 107895212
[1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105249241
[2-(5-bromo-2-pyridinyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249250
[2-(4-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]hydrazine
CID 105235074
N-[2-(2,4-dichlorophenyl)-1-(1,4-dithian-2-yl)ethyl]propan-1-amine
CID 79965753
N-[2-(3,4-difluorophenyl)-1-(1,4-dithian-2-yl)ethyl]propan-1-amine
CID 82923269
[1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chlorophenyl)ethyl]hydrazine
CID 105283333
[1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine
CID 105283379
[(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249146
[2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255638
[2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249246

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine (CID 105249447) is [2-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine is NNC(Cc1ccc(Cl)cc1)C1CSCCS1.
What is the InChIKey of [2-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
The InChIKey is YRSSGXBSBXZDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2S2/c13-10-3-1-9(2-4-10)7-11(15-14)12-8-16-5-6-17-12/h1-4,11-12,15H,5-8,14H2.
What are the key properties of [2-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
[2-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine has a molecular weight of 288.87 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105249447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).