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

C7H7ClN2S — CID 105315480

IUPAC1-(3-chlorothiophen-2-yl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1sccc1Cl
InChIInChI=1S/C7H7ClN2S/c1-2-6(10-9)7-5(8)3-4-11-7/h1,3-4,6,10H,9H2
InChIKeyOIOZRZFPFUSFCW-UHFFFAOYSA-N
MW186.67 g/mol
LogP1.54
Rot. Bonds2

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

1-(3-chlorothiophen-2-yl)prop-2-ynylhydrazine (PubChem CID 105315480) has the molecular formula C7H7ClN2S and a molecular weight of 186.67 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)prop-2-ynylhydrazine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)prop-2-ynylhydrazine
PubChem CID105315480
Molecular FormulaC7H7ClN2S
Molecular Weight186.67 g/mol
Exact Mass186.00
IUPAC Name1-(3-chlorothiophen-2-yl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1sccc1Cl
InChIInChI=1S/C7H7ClN2S/c1-2-6(10-9)7-5(8)3-4-11-7/h1,3-4,6,10H,9H2
InChIKeyOIOZRZFPFUSFCW-UHFFFAOYSA-N
XLogP1.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.67
LogP ≤ 51.54
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-ethylprop-2-yn-1-amine
CID 104995867
1-thiophen-2-ylprop-2-ynylhydrazine
CID 105193613
1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine
CID 105290579
1-(3-chlorothiophen-2-yl)nonylhydrazine
CID 105294361
[1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 107362011
[(3-chlorothiophen-2-yl)-(5-chlorothiophen-2-yl)methyl]hydrazine
CID 105328155
[(3-chlorothiophen-2-yl)-(3-iodophenyl)methyl]hydrazine
CID 107362239
[(3-chlorothiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 107362343
[(3-chlorothiophen-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105286685
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
(3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
CID 80529772
[(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine
CID 105286186

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)prop-2-ynylhydrazine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)prop-2-ynylhydrazine (CID 105315480) is 1-(3-chlorothiophen-2-yl)prop-2-ynylhydrazine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)prop-2-ynylhydrazine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)prop-2-ynylhydrazine is C#CC(NN)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)prop-2-ynylhydrazine?
The InChIKey is OIOZRZFPFUSFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2S/c1-2-6(10-9)7-5(8)3-4-11-7/h1,3-4,6,10H,9H2.
What are the key properties of 1-(3-chlorothiophen-2-yl)prop-2-ynylhydrazine?
1-(3-chlorothiophen-2-yl)prop-2-ynylhydrazine has a molecular weight of 186.67 g/mol, XLogP of 1.54, 2 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)prop-2-ynylhydrazine is sourced from PubChem (CID 105315480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).