[2-(1-benzothiophen-3-yl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine

C16H14ClIN2S — CID 103217331

IUPAC[2-(1-benzothiophen-3-yl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine
SMILESNNC(Cc1csc2ccccc12)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H14ClIN2S/c17-13-7-10(5-6-14(13)18)15(20-19)8-11-9-21-16-4-2-1-3-12(11)16/h1-7,9,15,20H,8,19H2
InChIKeyYIGQSSKTYMFWAM-UHFFFAOYSA-N
MW428.73 g/mol
LogP4.91
Rot. Bonds4

About [2-(1-benzothiophen-3-yl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine

[2-(1-benzothiophen-3-yl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine (PubChem CID 103217331) has the molecular formula C16H14ClIN2S and a molecular weight of 428.73 g/mol. Its IUPAC name is [2-(1-benzothiophen-3-yl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1-benzothiophen-3-yl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine
PubChem CID103217331
Molecular FormulaC16H14ClIN2S
Molecular Weight428.73 g/mol
Exact Mass427.96
IUPAC Name[2-(1-benzothiophen-3-yl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine
SMILESNNC(Cc1csc2ccccc12)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H14ClIN2S/c17-13-7-10(5-6-14(13)18)15(20-19)8-11-9-21-16-4-2-1-3-12(11)16/h1-7,9,15,20H,8,19H2
InChIKeyYIGQSSKTYMFWAM-UHFFFAOYSA-N
XLogP4.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.73
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(1-benzothiophen-3-yl)-1-(4-bromo-3-chlorophenyl)ethyl]hydrazine
CID 105291718
[2-(1-benzothiophen-3-yl)-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105197098
2-(1-benzothiophen-3-yl)-1-(4-chloro-3-methylphenyl)-N-methylethanamine
CID 115823976
[2-(1-benzothiophen-3-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222485
1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol
CID 103210159
[1-(3-chloro-4-iodophenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 103217826
3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244750
[2-(4-bromophenyl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine
CID 103217259
[2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]hydrazine
CID 105291679
[2-(1-benzothiophen-3-yl)-1-(2-bromo-4-fluorophenyl)ethyl]hydrazine
CID 105291698
[2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105291760
[1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 103217368

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzothiophen-3-yl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine?
The IUPAC name of [2-(1-benzothiophen-3-yl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine (CID 103217331) is [2-(1-benzothiophen-3-yl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(1-benzothiophen-3-yl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(1-benzothiophen-3-yl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine is NNC(Cc1csc2ccccc12)c1ccc(I)c(Cl)c1.
What is the InChIKey of [2-(1-benzothiophen-3-yl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine?
The InChIKey is YIGQSSKTYMFWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClIN2S/c17-13-7-10(5-6-14(13)18)15(20-19)8-11-9-21-16-4-2-1-3-12(11)16/h1-7,9,15,20H,8,19H2.
What are the key properties of [2-(1-benzothiophen-3-yl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine?
[2-(1-benzothiophen-3-yl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine has a molecular weight of 428.73 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzothiophen-3-yl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine is sourced from PubChem (CID 103217331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).