2-[(2-hydrazinyl-2-oxoethyl)disulfanyl]acetohydrazide

C4H10N4O2S2 — CID 23291

IUPAC2-[(2-hydrazinyl-2-oxoethyl)disulfanyl]acetohydrazide
SMILESNNC(=O)CSSCC(=O)NN
InChIInChI=1S/C4H10N4O2S2/c5-7-3(9)1-11-12-2-4(10)8-6/h1-2,5-6H2,(H,7,9)(H,8,10)
InChIKeyNJNJIZMEMBXNJM-UHFFFAOYSA-N
MW210.28 g/mol
LogP-1.65
Rot. Bonds5

About 2-[(2-hydrazinyl-2-oxoethyl)disulfanyl]acetohydrazide

2-[(2-hydrazinyl-2-oxoethyl)disulfanyl]acetohydrazide (PubChem CID 23291) has the molecular formula C4H10N4O2S2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(2-hydrazinyl-2-oxoethyl)disulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[(2-hydrazinyl-2-oxoethyl)disulfanyl]acetohydrazide
PubChem CID23291
Molecular FormulaC4H10N4O2S2
Molecular Weight210.28 g/mol
Exact Mass210.02
IUPAC Name2-[(2-hydrazinyl-2-oxoethyl)disulfanyl]acetohydrazide
SMILESNNC(=O)CSSCC(=O)NN
InChIInChI=1S/C4H10N4O2S2/c5-7-3(9)1-11-12-2-4(10)8-6/h1-2,5-6H2,(H,7,9)(H,8,10)
InChIKeyNJNJIZMEMBXNJM-UHFFFAOYSA-N
XLogP-1.65
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', '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-hydrazinyl-2-oxoethyl)disulfanyl]acetohydrazide?
The IUPAC name of 2-[(2-hydrazinyl-2-oxoethyl)disulfanyl]acetohydrazide (CID 23291) is 2-[(2-hydrazinyl-2-oxoethyl)disulfanyl]acetohydrazide.
What is the SMILES notation for 2-[(2-hydrazinyl-2-oxoethyl)disulfanyl]acetohydrazide?
The canonical SMILES for 2-[(2-hydrazinyl-2-oxoethyl)disulfanyl]acetohydrazide is NNC(=O)CSSCC(=O)NN.
What is the InChIKey of 2-[(2-hydrazinyl-2-oxoethyl)disulfanyl]acetohydrazide?
The InChIKey is NJNJIZMEMBXNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O2S2/c5-7-3(9)1-11-12-2-4(10)8-6/h1-2,5-6H2,(H,7,9)(H,8,10).
What are the key properties of 2-[(2-hydrazinyl-2-oxoethyl)disulfanyl]acetohydrazide?
2-[(2-hydrazinyl-2-oxoethyl)disulfanyl]acetohydrazide has a molecular weight of 210.28 g/mol, XLogP of -1.65, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydrazinyl-2-oxoethyl)disulfanyl]acetohydrazide is sourced from PubChem (CID 23291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).