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

C6H14N4O2S2 — CID 10705113

IUPAC2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCCSCC(=O)NN
InChIInChI=1S/C6H14N4O2S2/c7-9-5(11)3-13-1-2-14-4-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)
InChIKeyJKRCAXLNTSPHJB-UHFFFAOYSA-N
MW238.34 g/mol
LogP-1.57
Rot. Bonds7

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

2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]acetohydrazide (PubChem CID 10705113) has the molecular formula C6H14N4O2S2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]acetohydrazide
PubChem CID10705113
Molecular FormulaC6H14N4O2S2
Molecular Weight238.34 g/mol
Exact Mass238.06
IUPAC Name2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCCSCC(=O)NN
InChIInChI=1S/C6H14N4O2S2/c7-9-5(11)3-13-1-2-14-4-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)
InChIKeyJKRCAXLNTSPHJB-UHFFFAOYSA-N
XLogP-1.57
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 5-1.57
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': '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-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]acetohydrazide?
The IUPAC name of 2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]acetohydrazide (CID 10705113) is 2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]acetohydrazide.
What is the SMILES notation for 2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]acetohydrazide?
The canonical SMILES for 2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]acetohydrazide is NNC(=O)CSCCSCC(=O)NN.
What is the InChIKey of 2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]acetohydrazide?
The InChIKey is JKRCAXLNTSPHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2S2/c7-9-5(11)3-13-1-2-14-4-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12).
What are the key properties of 2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]acetohydrazide?
2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]acetohydrazide has a molecular weight of 238.34 g/mol, XLogP of -1.57, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydrazinyl-2-oxoethyl)sulfanylethylsulfanyl]acetohydrazide is sourced from PubChem (CID 10705113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).