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

C9H20N6O3S3 — CID 23386225

IUPAC2-[2,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCC(CSCC(=O)NN)SCC(=O)NN
InChIInChI=1S/C9H20N6O3S3/c10-13-7(16)3-19-1-6(21-5-9(18)15-12)2-20-4-8(17)14-11/h6H,1-5,10-12H2,(H,13,16)(H,14,17)(H,15,18)
InChIKeyBDBSCGWSFMNJAU-UHFFFAOYSA-N
MW356.50 g/mol
LogP-2.48
Rot. Bonds11

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

2-[2,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propylsulfanyl]acetohydrazide (PubChem CID 23386225) has the molecular formula C9H20N6O3S3 and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-[2,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propylsulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[2,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propylsulfanyl]acetohydrazide
PubChem CID23386225
Molecular FormulaC9H20N6O3S3
Molecular Weight356.50 g/mol
Exact Mass356.08
IUPAC Name2-[2,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCC(CSCC(=O)NN)SCC(=O)NN
InChIInChI=1S/C9H20N6O3S3/c10-13-7(16)3-19-1-6(21-5-9(18)15-12)2-20-4-8(17)14-11/h6H,1-5,10-12H2,(H,13,16)(H,14,17)(H,15,18)
InChIKeyBDBSCGWSFMNJAU-UHFFFAOYSA-N
XLogP-2.48
TPSA165.36 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.50
LogP ≤ 5-2.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-[2,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propylsulfanyl]acetohydrazide?
The IUPAC name of 2-[2,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propylsulfanyl]acetohydrazide (CID 23386225) is 2-[2,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propylsulfanyl]acetohydrazide.
What is the SMILES notation for 2-[2,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propylsulfanyl]acetohydrazide?
The canonical SMILES for 2-[2,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propylsulfanyl]acetohydrazide is NNC(=O)CSCC(CSCC(=O)NN)SCC(=O)NN.
What is the InChIKey of 2-[2,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propylsulfanyl]acetohydrazide?
The InChIKey is BDBSCGWSFMNJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N6O3S3/c10-13-7(16)3-19-1-6(21-5-9(18)15-12)2-20-4-8(17)14-11/h6H,1-5,10-12H2,(H,13,16)(H,14,17)(H,15,18).
What are the key properties of 2-[2,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propylsulfanyl]acetohydrazide?
2-[2,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propylsulfanyl]acetohydrazide has a molecular weight of 356.50 g/mol, XLogP of -2.48, 11 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis[(2-hydrazinyl-2-oxoethyl)sulfanyl]propylsulfanyl]acetohydrazide is sourced from PubChem (CID 23386225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).