4-methylsulfanylbutanehydrazide

C5H12N2OS — CID 23162552

IUPAC4-methylsulfanylbutanehydrazide
SMILESCSCCCC(=O)NN
InChIInChI=1S/C5H12N2OS/c1-9-4-2-3-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyUFMNLSYXXDFTDJ-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.12
Rot. Bonds4

About 4-methylsulfanylbutanehydrazide

4-methylsulfanylbutanehydrazide (PubChem CID 23162552) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 4-methylsulfanylbutanehydrazide.

Molecular Properties

Compound Name4-methylsulfanylbutanehydrazide
PubChem CID23162552
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name4-methylsulfanylbutanehydrazide
SMILESCSCCCC(=O)NN
InChIInChI=1S/C5H12N2OS/c1-9-4-2-3-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyUFMNLSYXXDFTDJ-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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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylbutanehydrazide?
The IUPAC name of 4-methylsulfanylbutanehydrazide (CID 23162552) is 4-methylsulfanylbutanehydrazide.
What is the SMILES notation for 4-methylsulfanylbutanehydrazide?
The canonical SMILES for 4-methylsulfanylbutanehydrazide is CSCCCC(=O)NN.
What is the InChIKey of 4-methylsulfanylbutanehydrazide?
The InChIKey is UFMNLSYXXDFTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-9-4-2-3-5(8)7-6/h2-4,6H2,1H3,(H,7,8).
What are the key properties of 4-methylsulfanylbutanehydrazide?
4-methylsulfanylbutanehydrazide 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 4-methylsulfanylbutanehydrazide is sourced from PubChem (CID 23162552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).