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

C13H19ClN2O2S — CID 105283336

IUPAC[2-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Cl)cc1)C1CCCCS1(=O)=O
InChIInChI=1S/C13H19ClN2O2S/c14-11-6-4-10(5-7-11)9-12(16-15)13-3-1-2-8-19(13,17)18/h4-7,12-13,16H,1-3,8-9,15H2
InChIKeyWLSQPVMWTZYWFA-UHFFFAOYSA-N
MW302.83 g/mol
LogP1.68
Rot. Bonds4

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

[2-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)ethyl]hydrazine (PubChem CID 105283336) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)ethyl]hydrazine
PubChem CID105283336
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name[2-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Cl)cc1)C1CCCCS1(=O)=O
InChIInChI=1S/C13H19ClN2O2S/c14-11-6-4-10(5-7-11)9-12(16-15)13-3-1-2-8-19(13,17)18/h4-7,12-13,16H,1-3,8-9,15H2
InChIKeyWLSQPVMWTZYWFA-UHFFFAOYSA-N
XLogP1.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 51.68
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-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)-N-methylethanamine
CID 104519891
[1-(1,1-dioxothian-2-yl)-2-phenylethyl]hydrazine
CID 105283171
[1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chlorophenyl)ethyl]hydrazine
CID 105283333
[1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105292010
N-[1-(1,1-dioxothian-2-yl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 115864313
2-(2,3-dihydro-1H-inden-5-yl)-1-(1,1-dioxothian-2-yl)-N-methylethanamine
CID 115865007
1-(1,1-dioxothian-2-yl)-2-pyridin-4-ylethanamine
CID 104520115
[2-(4-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]hydrazine
CID 105235074
[2-(4-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231866
[1-(1,1-dioxothian-2-yl)-2-ethoxyethyl]hydrazine
CID 105321290
[(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine
CID 105300920
[1-(2-adamantyl)-2-(4-chlorophenyl)ethyl]hydrazine
CID 105283365

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)ethyl]hydrazine (CID 105283336) is [2-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)ethyl]hydrazine is NNC(Cc1ccc(Cl)cc1)C1CCCCS1(=O)=O.
What is the InChIKey of [2-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)ethyl]hydrazine?
The InChIKey is WLSQPVMWTZYWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c14-11-6-4-10(5-7-11)9-12(16-15)13-3-1-2-8-19(13,17)18/h4-7,12-13,16H,1-3,8-9,15H2.
What are the key properties of [2-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)ethyl]hydrazine?
[2-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)ethyl]hydrazine has a molecular weight of 302.83 g/mol, XLogP of 1.68, 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-(1,1-dioxothian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105283336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).