2-[2-[2-(2-aminoethyldisulfanyl)ethyl]hydrazinyl]ethanethiol

C6H17N3S3 — CID 145185731

IUPAC2-[2-[2-(2-aminoethyldisulfanyl)ethyl]hydrazinyl]ethanethiol
SMILESNCCSSCCNNCCS
InChIInChI=1S/C6H17N3S3/c7-1-5-11-12-6-3-9-8-2-4-10/h8-10H,1-7H2
InChIKeyDDQVBSCHJFOSKD-UHFFFAOYSA-N
MW227.42 g/mol
LogP0.35
Rot. Bonds9

About 2-[2-[2-(2-aminoethyldisulfanyl)ethyl]hydrazinyl]ethanethiol

2-[2-[2-(2-aminoethyldisulfanyl)ethyl]hydrazinyl]ethanethiol (PubChem CID 145185731) has the molecular formula C6H17N3S3 and a molecular weight of 227.42 g/mol. Its IUPAC name is 2-[2-[2-(2-aminoethyldisulfanyl)ethyl]hydrazinyl]ethanethiol.

Molecular Properties

Compound Name2-[2-[2-(2-aminoethyldisulfanyl)ethyl]hydrazinyl]ethanethiol
PubChem CID145185731
Molecular FormulaC6H17N3S3
Molecular Weight227.42 g/mol
Exact Mass227.06
IUPAC Name2-[2-[2-(2-aminoethyldisulfanyl)ethyl]hydrazinyl]ethanethiol
SMILESNCCSSCCNNCCS
InChIInChI=1S/C6H17N3S3/c7-1-5-11-12-6-3-9-8-2-4-10/h8-10H,1-7H2
InChIKeyDDQVBSCHJFOSKD-UHFFFAOYSA-N
XLogP0.35
TPSA50.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[2-[2-(2-aminoethyldisulfanyl)ethyl]hydrazinyl]ethanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-aminoethyldisulfanyl)ethyl]hydrazinyl]ethanethiol?
The IUPAC name of 2-[2-[2-(2-aminoethyldisulfanyl)ethyl]hydrazinyl]ethanethiol (CID 145185731) is 2-[2-[2-(2-aminoethyldisulfanyl)ethyl]hydrazinyl]ethanethiol.
What is the SMILES notation for 2-[2-[2-(2-aminoethyldisulfanyl)ethyl]hydrazinyl]ethanethiol?
The canonical SMILES for 2-[2-[2-(2-aminoethyldisulfanyl)ethyl]hydrazinyl]ethanethiol is NCCSSCCNNCCS.
What is the InChIKey of 2-[2-[2-(2-aminoethyldisulfanyl)ethyl]hydrazinyl]ethanethiol?
The InChIKey is DDQVBSCHJFOSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3S3/c7-1-5-11-12-6-3-9-8-2-4-10/h8-10H,1-7H2.
What are the key properties of 2-[2-[2-(2-aminoethyldisulfanyl)ethyl]hydrazinyl]ethanethiol?
2-[2-[2-(2-aminoethyldisulfanyl)ethyl]hydrazinyl]ethanethiol has a molecular weight of 227.42 g/mol, XLogP of 0.35, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-aminoethyldisulfanyl)ethyl]hydrazinyl]ethanethiol is sourced from PubChem (CID 145185731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).