3-hexylsulfanylpropanehydrazide

C9H20N2OS — CID 19905637

IUPAC3-hexylsulfanylpropanehydrazide
SMILESCCCCCCSCCC(=O)NN
InChIInChI=1S/C9H20N2OS/c1-2-3-4-5-7-13-8-6-9(12)11-10/h2-8,10H2,1H3,(H,11,12)
InChIKeyUISSDDJKGSFZPC-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.68
Rot. Bonds8

About 3-hexylsulfanylpropanehydrazide

3-hexylsulfanylpropanehydrazide (PubChem CID 19905637) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 3-hexylsulfanylpropanehydrazide.

Molecular Properties

Compound Name3-hexylsulfanylpropanehydrazide
PubChem CID19905637
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name3-hexylsulfanylpropanehydrazide
SMILESCCCCCCSCCC(=O)NN
InChIInChI=1S/C9H20N2OS/c1-2-3-4-5-7-13-8-6-9(12)11-10/h2-8,10H2,1H3,(H,11,12)
InChIKeyUISSDDJKGSFZPC-UHFFFAOYSA-N
XLogP1.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-hexylsulfanylpropanehydrazide?
The IUPAC name of 3-hexylsulfanylpropanehydrazide (CID 19905637) is 3-hexylsulfanylpropanehydrazide.
What is the SMILES notation for 3-hexylsulfanylpropanehydrazide?
The canonical SMILES for 3-hexylsulfanylpropanehydrazide is CCCCCCSCCC(=O)NN.
What is the InChIKey of 3-hexylsulfanylpropanehydrazide?
The InChIKey is UISSDDJKGSFZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-2-3-4-5-7-13-8-6-9(12)11-10/h2-8,10H2,1H3,(H,11,12).
What are the key properties of 3-hexylsulfanylpropanehydrazide?
3-hexylsulfanylpropanehydrazide has a molecular weight of 204.34 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexylsulfanylpropanehydrazide is sourced from PubChem (CID 19905637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).