5-(diethylamino)pentanethiohydrazide

C9H21N3S — CID 58390871

IUPAC5-(diethylamino)pentanethiohydrazide
SMILESCCN(CC)CCCCC(=S)NN
InChIInChI=1S/C9H21N3S/c1-3-12(4-2)8-6-5-7-9(13)11-10/h3-8,10H2,1-2H3,(H,11,13)
InChIKeyUNTGRYNQISBJCS-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.29
Rot. Bonds7

About 5-(diethylamino)pentanethiohydrazide

5-(diethylamino)pentanethiohydrazide (PubChem CID 58390871) has the molecular formula C9H21N3S and a molecular weight of 203.35 g/mol. Its IUPAC name is 5-(diethylamino)pentanethiohydrazide.

Molecular Properties

Compound Name5-(diethylamino)pentanethiohydrazide
PubChem CID58390871
Molecular FormulaC9H21N3S
Molecular Weight203.35 g/mol
Exact Mass203.15
IUPAC Name5-(diethylamino)pentanethiohydrazide
SMILESCCN(CC)CCCCC(=S)NN
InChIInChI=1S/C9H21N3S/c1-3-12(4-2)8-6-5-7-9(13)11-10/h3-8,10H2,1-2H3,(H,11,13)
InChIKeyUNTGRYNQISBJCS-UHFFFAOYSA-N
XLogP1.29
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[Butyl(propyl)amino]ethanethiohydrazide
CID 91220365
N-ethyl-5-hydrazinyl-N-methylpentan-1-amine
CID 142876188
(Dipentylamino)carbamodithioic acid
CID 158653058

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)pentanethiohydrazide?
The IUPAC name of 5-(diethylamino)pentanethiohydrazide (CID 58390871) is 5-(diethylamino)pentanethiohydrazide.
What is the SMILES notation for 5-(diethylamino)pentanethiohydrazide?
The canonical SMILES for 5-(diethylamino)pentanethiohydrazide is CCN(CC)CCCCC(=S)NN.
What is the InChIKey of 5-(diethylamino)pentanethiohydrazide?
The InChIKey is UNTGRYNQISBJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3S/c1-3-12(4-2)8-6-5-7-9(13)11-10/h3-8,10H2,1-2H3,(H,11,13).
What are the key properties of 5-(diethylamino)pentanethiohydrazide?
5-(diethylamino)pentanethiohydrazide has a molecular weight of 203.35 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)pentanethiohydrazide is sourced from PubChem (CID 58390871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).