1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine

C9H11ClN2S — CID 105290579

IUPAC1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine
SMILESCC#CCC(NN)c1sccc1Cl
InChIInChI=1S/C9H11ClN2S/c1-2-3-4-8(12-11)9-7(10)5-6-13-9/h5-6,8,12H,4,11H2,1H3
InChIKeyFXRYRPCRHJWLGV-UHFFFAOYSA-N
MW214.72 g/mol
LogP2.32
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine

1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine (PubChem CID 105290579) has the molecular formula C9H11ClN2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine
PubChem CID105290579
Molecular FormulaC9H11ClN2S
Molecular Weight214.72 g/mol
Exact Mass214.03
IUPAC Name1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine
SMILESCC#CCC(NN)c1sccc1Cl
InChIInChI=1S/C9H11ClN2S/c1-2-3-4-8(12-11)9-7(10)5-6-13-9/h5-6,8,12H,4,11H2,1H3
InChIKeyFXRYRPCRHJWLGV-UHFFFAOYSA-N
XLogP2.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 52.32
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine
CID 115819887
1-(3,4-dichlorophenyl)pent-3-ynylhydrazine
CID 105257080
[1-(3-chlorothiophen-2-yl)-4-methoxy-3-methylbutyl]hydrazine
CID 107362431
[1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 107362011
1-(3-chlorothiophen-2-yl)nonylhydrazine
CID 105294361
[1-(3-chlorothiophen-2-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 107362297
1-(3-chlorothiophen-2-yl)hex-4-yn-1-amine
CID 105037487
1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine
CID 105290740
1-(3-chlorothiophen-2-yl)-5,5-dimethyl-N-propylhex-3-yn-1-amine
CID 114190699
[(3-chlorothiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 107362343
[(3-chlorothiophen-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105286685
[1-(3-chlorothiophen-2-yl)-2-(furan-2-yl)ethyl]hydrazine
CID 105331476

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine (CID 105290579) is 1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine is CC#CCC(NN)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine?
The InChIKey is FXRYRPCRHJWLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2S/c1-2-3-4-8(12-11)9-7(10)5-6-13-9/h5-6,8,12H,4,11H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine?
1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine has a molecular weight of 214.72 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine is sourced from PubChem (CID 105290579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).