3,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propanehydrazide

C7H16N6O3S2 — CID 11197233

IUPAC3,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propanehydrazide
SMILESNNC(=O)CSC(CC(=O)NN)SCC(=O)NN
InChIInChI=1S/C7H16N6O3S2/c8-11-4(14)1-7(17-2-5(15)12-9)18-3-6(16)13-10/h7H,1-3,8-10H2,(H,11,14)(H,12,15)(H,13,16)
InChIKeyHUMWEXDHUWJGIC-UHFFFAOYSA-N
MW296.38 g/mol
LogP-2.86
Rot. Bonds8

About 3,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propanehydrazide

3,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propanehydrazide (PubChem CID 11197233) has the molecular formula C7H16N6O3S2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 3,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propanehydrazide.

Molecular Properties

Compound Name3,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propanehydrazide
PubChem CID11197233
Molecular FormulaC7H16N6O3S2
Molecular Weight296.38 g/mol
Exact Mass296.07
IUPAC Name3,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propanehydrazide
SMILESNNC(=O)CSC(CC(=O)NN)SCC(=O)NN
InChIInChI=1S/C7H16N6O3S2/c8-11-4(14)1-7(17-2-5(15)12-9)18-3-6(16)13-10/h7H,1-3,8-10H2,(H,11,14)(H,12,15)(H,13,16)
InChIKeyHUMWEXDHUWJGIC-UHFFFAOYSA-N
XLogP-2.86
TPSA165.36 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.38
LogP ≤ 5-2.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 3,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propanehydrazide?
The IUPAC name of 3,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propanehydrazide (CID 11197233) is 3,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propanehydrazide.
What is the SMILES notation for 3,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propanehydrazide?
The canonical SMILES for 3,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propanehydrazide is NNC(=O)CSC(CC(=O)NN)SCC(=O)NN.
What is the InChIKey of 3,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propanehydrazide?
The InChIKey is HUMWEXDHUWJGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N6O3S2/c8-11-4(14)1-7(17-2-5(15)12-9)18-3-6(16)13-10/h7H,1-3,8-10H2,(H,11,14)(H,12,15)(H,13,16).
What are the key properties of 3,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propanehydrazide?
3,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propanehydrazide has a molecular weight of 296.38 g/mol, XLogP of -2.86, 8 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propanehydrazide is sourced from PubChem (CID 11197233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).