4-methylsulfanylbutan-2-ylhydrazine

C5H14N2S — CID 55281389

IUPAC4-methylsulfanylbutan-2-ylhydrazine
SMILESCSCCC(C)NN
InChIInChI=1S/C5H14N2S/c1-5(7-6)3-4-8-2/h5,7H,3-4,6H2,1-2H3
InChIKeySJFSNZAPNKJAOC-UHFFFAOYSA-N
MW134.25 g/mol
LogP0.59
Rot. Bonds4

About 4-methylsulfanylbutan-2-ylhydrazine

4-methylsulfanylbutan-2-ylhydrazine (PubChem CID 55281389) has the molecular formula C5H14N2S and a molecular weight of 134.25 g/mol. Its IUPAC name is 4-methylsulfanylbutan-2-ylhydrazine.

Molecular Properties

Compound Name4-methylsulfanylbutan-2-ylhydrazine
PubChem CID55281389
Molecular FormulaC5H14N2S
Molecular Weight134.25 g/mol
Exact Mass134.09
IUPAC Name4-methylsulfanylbutan-2-ylhydrazine
SMILESCSCCC(C)NN
InChIInChI=1S/C5H14N2S/c1-5(7-6)3-4-8-2/h5,7H,3-4,6H2,1-2H3
InChIKeySJFSNZAPNKJAOC-UHFFFAOYSA-N
XLogP0.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.25
LogP ≤ 50.59
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 4-methylsulfanylbutan-2-ylhydrazine?
The IUPAC name of 4-methylsulfanylbutan-2-ylhydrazine (CID 55281389) is 4-methylsulfanylbutan-2-ylhydrazine.
What is the SMILES notation for 4-methylsulfanylbutan-2-ylhydrazine?
The canonical SMILES for 4-methylsulfanylbutan-2-ylhydrazine is CSCCC(C)NN.
What is the InChIKey of 4-methylsulfanylbutan-2-ylhydrazine?
The InChIKey is SJFSNZAPNKJAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2S/c1-5(7-6)3-4-8-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 4-methylsulfanylbutan-2-ylhydrazine?
4-methylsulfanylbutan-2-ylhydrazine has a molecular weight of 134.25 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylbutan-2-ylhydrazine is sourced from PubChem (CID 55281389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).