4-butylsulfanylbutanehydrazide

C8H18N2OS — CID 63582322

IUPAC4-butylsulfanylbutanehydrazide
SMILESCCCCSCCCC(=O)NN
InChIInChI=1S/C8H18N2OS/c1-2-3-6-12-7-4-5-8(11)10-9/h2-7,9H2,1H3,(H,10,11)
InChIKeyHCNRHGUDABQATF-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.29
Rot. Bonds7

About 4-butylsulfanylbutanehydrazide

4-butylsulfanylbutanehydrazide (PubChem CID 63582322) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 4-butylsulfanylbutanehydrazide.

Molecular Properties

Compound Name4-butylsulfanylbutanehydrazide
PubChem CID63582322
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name4-butylsulfanylbutanehydrazide
SMILESCCCCSCCCC(=O)NN
InChIInChI=1S/C8H18N2OS/c1-2-3-6-12-7-4-5-8(11)10-9/h2-7,9H2,1H3,(H,10,11)
InChIKeyHCNRHGUDABQATF-UHFFFAOYSA-N
XLogP1.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.29
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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Related Compounds

4-pentylsulfanylbutanehydrazide
CID 107760917
11-octadecylsulfanylundecanehydrazide
CID 18183822
4-ethylsulfanylbutanehydrazide
CID 63581929
2-pentylsulfanylacetohydrazide
CID 107760927
4-propan-2-ylsulfanylbutanehydrazide
CID 63581042
4-[2,3-bis[(4-hydrazinyl-4-oxobutyl)sulfanyl]propylsulfanyl]butanehydrazide;methane
CID 157227391
hexanehydrazide;2,2,2-trifluoroacetic acid
CID 161488585
4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide
CID 66224257
5-(2-methylbutylsulfanyl)pentanehydrazide
CID 107761022
5-[butyl(methyl)amino]pentanehydrazide
CID 63570432
(E)-octadec-9-enehydrazide
CID 6281873
hexanedihydrazide;pentanedihydrazide
CID 157195533

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfanylbutanehydrazide?
The IUPAC name of 4-butylsulfanylbutanehydrazide (CID 63582322) is 4-butylsulfanylbutanehydrazide.
What is the SMILES notation for 4-butylsulfanylbutanehydrazide?
The canonical SMILES for 4-butylsulfanylbutanehydrazide is CCCCSCCCC(=O)NN.
What is the InChIKey of 4-butylsulfanylbutanehydrazide?
The InChIKey is HCNRHGUDABQATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-2-3-6-12-7-4-5-8(11)10-9/h2-7,9H2,1H3,(H,10,11).
What are the key properties of 4-butylsulfanylbutanehydrazide?
4-butylsulfanylbutanehydrazide has a molecular weight of 190.31 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 4-butylsulfanylbutanehydrazide is sourced from PubChem (CID 63582322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).