1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine

C10H13IN2S — CID 105333506

IUPAC1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)c1csc(I)c1
InChIInChI=1S/C10H13IN2S/c1-2-3-4-5-9(13-12)8-6-10(11)14-7-8/h1,6-7,9,13H,3-5,12H2
InChIKeyCKXCBZBNJSPEON-UHFFFAOYSA-N
MW320.20 g/mol
LogP2.66
Rot. Bonds5

About 1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine

1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine (PubChem CID 105333506) has the molecular formula C10H13IN2S and a molecular weight of 320.20 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine
PubChem CID105333506
Molecular FormulaC10H13IN2S
Molecular Weight320.20 g/mol
Exact Mass319.98
IUPAC Name1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)c1csc(I)c1
InChIInChI=1S/C10H13IN2S/c1-2-3-4-5-9(13-12)8-6-10(11)14-7-8/h1,6-7,9,13H,3-5,12H2
InChIKeyCKXCBZBNJSPEON-UHFFFAOYSA-N
XLogP2.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine
CID 115859344
[3-ethyl-1-(5-iodothiophen-3-yl)heptyl]hydrazine
CID 105288394
1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine
CID 105179686
1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine
CID 105333345
1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine
CID 105333301
1-(5-bromothiophen-3-yl)hex-5-yn-1-ol
CID 105124621
1-(5-bromothiophen-3-yl)but-3-ynylhydrazine
CID 105281586
[2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105296570
[2-(3,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105290057
N-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine
CID 105028853
1-(2,5-dibromophenyl)hex-5-ynylhydrazine
CID 105333449
1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine
CID 115837319

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine?
The IUPAC name of 1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine (CID 105333506) is 1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine?
The canonical SMILES for 1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine is C#CCCCC(NN)c1csc(I)c1.
What is the InChIKey of 1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine?
The InChIKey is CKXCBZBNJSPEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2S/c1-2-3-4-5-9(13-12)8-6-10(11)14-7-8/h1,6-7,9,13H,3-5,12H2.
What are the key properties of 1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine?
1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine has a molecular weight of 320.20 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine is sourced from PubChem (CID 105333506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).