[2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine

C16H18Cl2N2S — CID 107312849

IUPAC[2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
SMILESNNC(Cc1cccc(Cl)c1Cl)C1CCCc2sccc21
InChIInChI=1S/C16H18Cl2N2S/c17-13-5-1-3-10(16(13)18)9-14(20-19)11-4-2-6-15-12(11)7-8-21-15/h1,3,5,7-8,11,14,20H,2,4,6,9,19H2
InChIKeyXTGIXSNVXZGCQW-UHFFFAOYSA-N
MW341.31 g/mol
LogP4.55
Rot. Bonds4

About [2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine

[2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine (PubChem CID 107312849) has the molecular formula C16H18Cl2N2S and a molecular weight of 341.31 g/mol. Its IUPAC name is [2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
PubChem CID107312849
Molecular FormulaC16H18Cl2N2S
Molecular Weight341.31 g/mol
Exact Mass340.06
IUPAC Name[2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
SMILESNNC(Cc1cccc(Cl)c1Cl)C1CCCc2sccc21
InChIInChI=1S/C16H18Cl2N2S/c17-13-5-1-3-10(16(13)18)9-14(20-19)11-4-2-6-15-12(11)7-8-21-15/h1,3,5,7-8,11,14,20H,2,4,6,9,19H2
InChIKeyXTGIXSNVXZGCQW-UHFFFAOYSA-N
XLogP4.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 54.55
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-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105283115
[2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105310301
[2-(3,4-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105290006
2-(2,5-dichlorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105151512
[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105316509
[2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105315787
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine
CID 105311558
[4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine
CID 105310870
[2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 107312815
[(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine
CID 105308080
N-[(2,6-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841812
[2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine
CID 107312987

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine (CID 107312849) is [2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine is NNC(Cc1cccc(Cl)c1Cl)C1CCCc2sccc21.
What is the InChIKey of [2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
The InChIKey is XTGIXSNVXZGCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2S/c17-13-5-1-3-10(16(13)18)9-14(20-19)11-4-2-6-15-12(11)7-8-21-15/h1,3,5,7-8,11,14,20H,2,4,6,9,19H2.
What are the key properties of [2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
[2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine has a molecular weight of 341.31 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine is sourced from PubChem (CID 107312849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).