[(1R)-1-cyclohexa-2,4-dien-1-yl-2-dibenzothiophen-4-ylethyl]hydrazine

C20H20N2S — CID 118686764

IUPAC[(1R)-1-cyclohexa-2,4-dien-1-yl-2-dibenzothiophen-4-ylethyl]hydrazine
SMILESNN[C@H](Cc1cccc2c1sc1ccccc12)C1C=CC=CC1
InChIInChI=1S/C20H20N2S/c21-22-18(14-7-2-1-3-8-14)13-15-9-6-11-17-16-10-4-5-12-19(16)23-20(15)17/h1-7,9-12,14,18,22H,8,13,21H2/t14?,18-/m1/s1
InChIKeyKHZUXTOXZJCVMH-XPKAQORNSA-N
MW320.46 g/mol
LogP4.56
Rot. Bonds4

About [(1R)-1-cyclohexa-2,4-dien-1-yl-2-dibenzothiophen-4-ylethyl]hydrazine

[(1R)-1-cyclohexa-2,4-dien-1-yl-2-dibenzothiophen-4-ylethyl]hydrazine (PubChem CID 118686764) has the molecular formula C20H20N2S and a molecular weight of 320.46 g/mol. Its IUPAC name is [(1R)-1-cyclohexa-2,4-dien-1-yl-2-dibenzothiophen-4-ylethyl]hydrazine.

Molecular Properties

Compound Name[(1R)-1-cyclohexa-2,4-dien-1-yl-2-dibenzothiophen-4-ylethyl]hydrazine
PubChem CID118686764
Molecular FormulaC20H20N2S
Molecular Weight320.46 g/mol
Exact Mass320.13
IUPAC Name[(1R)-1-cyclohexa-2,4-dien-1-yl-2-dibenzothiophen-4-ylethyl]hydrazine
SMILESNN[C@H](Cc1cccc2c1sc1ccccc12)C1C=CC=CC1
InChIInChI=1S/C20H20N2S/c21-22-18(14-7-2-1-3-8-14)13-15-9-6-11-17-16-10-4-5-12-19(16)23-20(15)17/h1-7,9-12,14,18,22H,8,13,21H2/t14?,18-/m1/s1
InChIKeyKHZUXTOXZJCVMH-XPKAQORNSA-N
XLogP4.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

ethane;4-ethyldibenzothiophene
CID 123227550
4-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]dibenzothiophene
CID 139307562
N-ethyldibenzothiophen-4-amine
CID 166464988
5-cyclohexa-2,4-dien-1-yl-3-dibenzothiophen-4-yl-2,3-dihydro-1H-1,2,4-triazole
CID 163610025
(1-cyclohexyl-2-naphthalen-1-ylethyl)hydrazine
CID 105201891
N'-(dibenzothiophen-4-ylmethylamino)benzenecarboximidamide
CID 90070940
(Z)-1-cyclohexa-1,3-dien-1-yl-3-dibenzothiophen-4-ylprop-1-en-1-amine
CID 144925961
N-(dibenzothiophen-4-ylmethyl)-4-phenylaniline
CID 153216345
1-[(1-cyclohexa-2,4-dien-1-yl-2-pyridin-2-ylethyl)carbamoyloxy]ethyl 2-methylpropanoate
CID 163735699
tetra(dibenzothiophen-4-yl)-λ4-sulfane
CID 134590724
4-cyclopropyldibenzothiophene
CID 54752889
2-(dibenzothiophen-4-ylmethyl)benzaldehyde
CID 13147279

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyclohexa-2,4-dien-1-yl-2-dibenzothiophen-4-ylethyl]hydrazine?
The IUPAC name of [(1R)-1-cyclohexa-2,4-dien-1-yl-2-dibenzothiophen-4-ylethyl]hydrazine (CID 118686764) is [(1R)-1-cyclohexa-2,4-dien-1-yl-2-dibenzothiophen-4-ylethyl]hydrazine.
What is the SMILES notation for [(1R)-1-cyclohexa-2,4-dien-1-yl-2-dibenzothiophen-4-ylethyl]hydrazine?
The canonical SMILES for [(1R)-1-cyclohexa-2,4-dien-1-yl-2-dibenzothiophen-4-ylethyl]hydrazine is NN[C@H](Cc1cccc2c1sc1ccccc12)C1C=CC=CC1.
What is the InChIKey of [(1R)-1-cyclohexa-2,4-dien-1-yl-2-dibenzothiophen-4-ylethyl]hydrazine?
The InChIKey is KHZUXTOXZJCVMH-XPKAQORNSA-N. The full InChI is InChI=1S/C20H20N2S/c21-22-18(14-7-2-1-3-8-14)13-15-9-6-11-17-16-10-4-5-12-19(16)23-20(15)17/h1-7,9-12,14,18,22H,8,13,21H2/t14?,18-/m1/s1.
What are the key properties of [(1R)-1-cyclohexa-2,4-dien-1-yl-2-dibenzothiophen-4-ylethyl]hydrazine?
[(1R)-1-cyclohexa-2,4-dien-1-yl-2-dibenzothiophen-4-ylethyl]hydrazine has a molecular weight of 320.46 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyclohexa-2,4-dien-1-yl-2-dibenzothiophen-4-ylethyl]hydrazine is sourced from PubChem (CID 118686764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).