3-ethylsulfanylpropanehydrazide

C5H12N2OS — CID 19905630

IUPAC3-ethylsulfanylpropanehydrazide
SMILESCCSCCC(=O)NN
InChIInChI=1S/C5H12N2OS/c1-2-9-4-3-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyNLSGXANRJDHGAJ-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.12
Rot. Bonds4

About 3-ethylsulfanylpropanehydrazide

3-ethylsulfanylpropanehydrazide (PubChem CID 19905630) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 3-ethylsulfanylpropanehydrazide.

Molecular Properties

Compound Name3-ethylsulfanylpropanehydrazide
PubChem CID19905630
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name3-ethylsulfanylpropanehydrazide
SMILESCCSCCC(=O)NN
InChIInChI=1S/C5H12N2OS/c1-2-9-4-3-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyNLSGXANRJDHGAJ-UHFFFAOYSA-N
XLogP0.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.12
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

3,3'-Thiobis(propanoic acid) 1,1'-dihydrazide
CID 80513
2-(Methylsulfanyl)acetohydrazide
CID 12674107
Thiobis(acetohydrazide)
CID 79527
2-[2-(Trifluoromethylsulfanyl)ethylsulfanyl]propanehydrazide
CID 88942111
2,2'-Sulfanediyldipropanehydrazide
CID 229973
2-(Ethylsulfanyl)acetohydrazide
CID 1712813
2,2-Difluoro-3-(methylsulfanyl)propanehydrazide
CID 165462078
3-[(2-Amino-2-methylpropyl)sulfanyl]-2,2-difluoropropanehydrazide
CID 165462152
3-{[2,2-Difluoro-2-(hydrazinecarbonyl)ethyl]sulfanyl}propanamide
CID 165462273
3-(Ethylsulfanyl)-2,2-difluoropropanehydrazide
CID 165466723
2,2-Difluoro-3-(propan-2-ylsulfanyl)propanehydrazide
CID 165466724
3-(Butylsulfanyl)-2,2-difluoropropanehydrazide
CID 165466725

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanylpropanehydrazide?
The IUPAC name of 3-ethylsulfanylpropanehydrazide (CID 19905630) is 3-ethylsulfanylpropanehydrazide.
What is the SMILES notation for 3-ethylsulfanylpropanehydrazide?
The canonical SMILES for 3-ethylsulfanylpropanehydrazide is CCSCCC(=O)NN.
What is the InChIKey of 3-ethylsulfanylpropanehydrazide?
The InChIKey is NLSGXANRJDHGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-2-9-4-3-5(8)7-6/h2-4,6H2,1H3,(H,7,8).
What are the key properties of 3-ethylsulfanylpropanehydrazide?
3-ethylsulfanylpropanehydrazide has a molecular weight of 148.23 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanylpropanehydrazide is sourced from PubChem (CID 19905630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).