2-[2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]ethylsulfanyl]acetohydrazide

C8H18N4O2S3 — CID 54206733

IUPAC2-[2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]ethylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCCSCCSCC(=O)NN
InChIInChI=1S/C8H18N4O2S3/c9-11-7(13)5-16-3-1-15-2-4-17-6-8(14)12-10/h1-6,9-10H2,(H,11,13)(H,12,14)
InChIKeyPTABEMHXGDYJKW-UHFFFAOYSA-N
MW298.46 g/mol
LogP-0.83
Rot. Bonds10

About 2-[2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]ethylsulfanyl]acetohydrazide

2-[2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]ethylsulfanyl]acetohydrazide (PubChem CID 54206733) has the molecular formula C8H18N4O2S3 and a molecular weight of 298.46 g/mol. Its IUPAC name is 2-[2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]ethylsulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]ethylsulfanyl]acetohydrazide
PubChem CID54206733
Molecular FormulaC8H18N4O2S3
Molecular Weight298.46 g/mol
Exact Mass298.06
IUPAC Name2-[2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]ethylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCCSCCSCC(=O)NN
InChIInChI=1S/C8H18N4O2S3/c9-11-7(13)5-16-3-1-15-2-4-17-6-8(14)12-10/h1-6,9-10H2,(H,11,13)(H,12,14)
InChIKeyPTABEMHXGDYJKW-UHFFFAOYSA-N
XLogP-0.83
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 2-[2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]ethylsulfanyl]acetohydrazide?
The IUPAC name of 2-[2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]ethylsulfanyl]acetohydrazide (CID 54206733) is 2-[2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]ethylsulfanyl]acetohydrazide.
What is the SMILES notation for 2-[2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]ethylsulfanyl]acetohydrazide?
The canonical SMILES for 2-[2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]ethylsulfanyl]acetohydrazide is NNC(=O)CSCCSCCSCC(=O)NN.
What is the InChIKey of 2-[2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]ethylsulfanyl]acetohydrazide?
The InChIKey is PTABEMHXGDYJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2S3/c9-11-7(13)5-16-3-1-15-2-4-17-6-8(14)12-10/h1-6,9-10H2,(H,11,13)(H,12,14).
What are the key properties of 2-[2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]ethylsulfanyl]acetohydrazide?
2-[2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]ethylsulfanyl]acetohydrazide has a molecular weight of 298.46 g/mol, XLogP of -0.83, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]ethylsulfanyl]acetohydrazide is sourced from PubChem (CID 54206733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).