1-thiophen-3-ylbutan-2-ylhydrazine

C8H14N2S — CID 105201099

IUPAC1-thiophen-3-ylbutan-2-ylhydrazine
SMILESCCC(Cc1ccsc1)NN
InChIInChI=1S/C8H14N2S/c1-2-8(10-9)5-7-3-4-11-6-7/h3-4,6,8,10H,2,5,9H2,1H3
InChIKeyYECVGVYOJFPAGG-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.53
Rot. Bonds4

About 1-thiophen-3-ylbutan-2-ylhydrazine

1-thiophen-3-ylbutan-2-ylhydrazine (PubChem CID 105201099) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-thiophen-3-ylbutan-2-ylhydrazine.

Molecular Properties

Compound Name1-thiophen-3-ylbutan-2-ylhydrazine
PubChem CID105201099
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name1-thiophen-3-ylbutan-2-ylhydrazine
SMILESCCC(Cc1ccsc1)NN
InChIInChI=1S/C8H14N2S/c1-2-8(10-9)5-7-3-4-11-6-7/h3-4,6,8,10H,2,5,9H2,1H3
InChIKeyYECVGVYOJFPAGG-UHFFFAOYSA-N
XLogP1.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylbutan-2-ylhydrazine?
The IUPAC name of 1-thiophen-3-ylbutan-2-ylhydrazine (CID 105201099) is 1-thiophen-3-ylbutan-2-ylhydrazine.
What is the SMILES notation for 1-thiophen-3-ylbutan-2-ylhydrazine?
The canonical SMILES for 1-thiophen-3-ylbutan-2-ylhydrazine is CCC(Cc1ccsc1)NN.
What is the InChIKey of 1-thiophen-3-ylbutan-2-ylhydrazine?
The InChIKey is YECVGVYOJFPAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-2-8(10-9)5-7-3-4-11-6-7/h3-4,6,8,10H,2,5,9H2,1H3.
What are the key properties of 1-thiophen-3-ylbutan-2-ylhydrazine?
1-thiophen-3-ylbutan-2-ylhydrazine has a molecular weight of 170.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylbutan-2-ylhydrazine is sourced from PubChem (CID 105201099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).