[2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine

C14H20Cl2N2S2 — CID 107312815

IUPAC[2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine
SMILESCC1SCC(C(Cc2cccc(Cl)c2Cl)NN)SC1C
InChIInChI=1S/C14H20Cl2N2S2/c1-8-9(2)20-13(7-19-8)12(18-17)6-10-4-3-5-11(15)14(10)16/h3-5,8-9,12-13,18H,6-7,17H2,1-2H3
InChIKeyVWESBDBPLBJWHU-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.99
Rot. Bonds4

About [2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine

[2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine (PubChem CID 107312815) has the molecular formula C14H20Cl2N2S2 and a molecular weight of 351.37 g/mol. Its IUPAC name is [2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine
PubChem CID107312815
Molecular FormulaC14H20Cl2N2S2
Molecular Weight351.37 g/mol
Exact Mass350.04
IUPAC Name[2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine
SMILESCC1SCC(C(Cc2cccc(Cl)c2Cl)NN)SC1C
InChIInChI=1S/C14H20Cl2N2S2/c1-8-9(2)20-13(7-19-8)12(18-17)6-10-4-3-5-11(15)14(10)16/h3-5,8-9,12-13,18H,6-7,17H2,1-2H3
InChIKeyVWESBDBPLBJWHU-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.99
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-(2,6-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine
CID 103346163
[2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 107312849
2-(3-chloro-4-pyridinyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine
CID 103346179
2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine
CID 103345750
[2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine
CID 107312987
[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxyethyl]hydrazine
CID 103347217
[1-(2,3-dichlorophenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 107312642
[2-(2,3-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 107312565
N-[(2,3-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43078350
2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol
CID 107308228
[1-(5,6-dimethyl-1,4-dithian-2-yl)-4-methylsulfonylbutyl]hydrazine
CID 103347091
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylethyl]hydrazine
CID 105264277

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine (CID 107312815) is [2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine is CC1SCC(C(Cc2cccc(Cl)c2Cl)NN)SC1C.
What is the InChIKey of [2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine?
The InChIKey is VWESBDBPLBJWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2S2/c1-8-9(2)20-13(7-19-8)12(18-17)6-10-4-3-5-11(15)14(10)16/h3-5,8-9,12-13,18H,6-7,17H2,1-2H3.
What are the key properties of [2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine?
[2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine has a molecular weight of 351.37 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 107312815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).