1-butan-2-ylsulfanylbut-3-yn-2-ylhydrazine

C8H16N2S — CID 105227129

IUPAC1-butan-2-ylsulfanylbut-3-yn-2-ylhydrazine
SMILESC#CC(CSC(C)CC)NN
InChIInChI=1S/C8H16N2S/c1-4-7(3)11-6-8(5-2)10-9/h2,7-8,10H,4,6,9H2,1,3H3
InChIKeyOVNNPVAULSKOSQ-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.98
Rot. Bonds5

About 1-butan-2-ylsulfanylbut-3-yn-2-ylhydrazine

1-butan-2-ylsulfanylbut-3-yn-2-ylhydrazine (PubChem CID 105227129) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 1-butan-2-ylsulfanylbut-3-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-butan-2-ylsulfanylbut-3-yn-2-ylhydrazine
PubChem CID105227129
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name1-butan-2-ylsulfanylbut-3-yn-2-ylhydrazine
SMILESC#CC(CSC(C)CC)NN
InChIInChI=1S/C8H16N2S/c1-4-7(3)11-6-8(5-2)10-9/h2,7-8,10H,4,6,9H2,1,3H3
InChIKeyOVNNPVAULSKOSQ-UHFFFAOYSA-N
XLogP0.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.98
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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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanylbut-3-yn-2-ylhydrazine?
The IUPAC name of 1-butan-2-ylsulfanylbut-3-yn-2-ylhydrazine (CID 105227129) is 1-butan-2-ylsulfanylbut-3-yn-2-ylhydrazine.
What is the SMILES notation for 1-butan-2-ylsulfanylbut-3-yn-2-ylhydrazine?
The canonical SMILES for 1-butan-2-ylsulfanylbut-3-yn-2-ylhydrazine is C#CC(CSC(C)CC)NN.
What is the InChIKey of 1-butan-2-ylsulfanylbut-3-yn-2-ylhydrazine?
The InChIKey is OVNNPVAULSKOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-4-7(3)11-6-8(5-2)10-9/h2,7-8,10H,4,6,9H2,1,3H3.
What are the key properties of 1-butan-2-ylsulfanylbut-3-yn-2-ylhydrazine?
1-butan-2-ylsulfanylbut-3-yn-2-ylhydrazine has a molecular weight of 172.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanylbut-3-yn-2-ylhydrazine is sourced from PubChem (CID 105227129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).