[2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine

C16H19ClN2S — CID 105283232

IUPAC[2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Cl)cc1)c1cc2c(s1)CCCC2
InChIInChI=1S/C16H19ClN2S/c17-13-7-5-11(6-8-13)9-14(19-18)16-10-12-3-1-2-4-15(12)20-16/h5-8,10,14,19H,1-4,9,18H2
InChIKeyRKJMXNZVERHFSM-UHFFFAOYSA-N
MW306.86 g/mol
LogP4.03
Rot. Bonds4

About [2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine

[2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine (PubChem CID 105283232) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
PubChem CID105283232
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name[2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Cl)cc1)c1cc2c(s1)CCCC2
InChIInChI=1S/C16H19ClN2S/c17-13-7-5-11(6-8-13)9-14(19-18)16-10-12-3-1-2-4-15(12)20-16/h5-8,10,14,19H,1-4,9,18H2
InChIKeyRKJMXNZVERHFSM-UHFFFAOYSA-N
XLogP4.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 54.03
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

[2-(5-chloro-2-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 103053843
[2-(4-chloro-2-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 105342696
2-(4-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 61079815
[2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 107312914
[2-(2,6-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 105293121
[2-(3,5-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 105413104
[2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105287656
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine
CID 105289523
[2-cyclobutyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]hydrazine
CID 105309957
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803851
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine
CID 105334885
[3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine
CID 105330949

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine (CID 105283232) is [2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine is NNC(Cc1ccc(Cl)cc1)c1cc2c(s1)CCCC2.
What is the InChIKey of [2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine?
The InChIKey is RKJMXNZVERHFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S/c17-13-7-5-11(6-8-13)9-14(19-18)16-10-12-3-1-2-4-15(12)20-16/h5-8,10,14,19H,1-4,9,18H2.
What are the key properties of [2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine?
[2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine has a molecular weight of 306.86 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105283232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).