2-[2-[bis(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethanethiol

C10H24N2S4 — CID 3035623

IUPAC2-[2-[bis(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethanethiol
SMILESSCCN(CCS)CCN(CCS)CCS
InChIInChI=1S/C10H24N2S4/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16/h13-16H,1-10H2
InChIKeyWXCADXMBJDSKDR-UHFFFAOYSA-N
MW300.58 g/mol
LogP1.31
Rot. Bonds11

About 2-[2-[bis(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethanethiol

2-[2-[bis(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethanethiol (PubChem CID 3035623) has the molecular formula C10H24N2S4 and a molecular weight of 300.58 g/mol. Its IUPAC name is 2-[2-[bis(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethanethiol.

Molecular Properties

Compound Name2-[2-[bis(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethanethiol
PubChem CID3035623
Molecular FormulaC10H24N2S4
Molecular Weight300.58 g/mol
Exact Mass300.08
IUPAC Name2-[2-[bis(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethanethiol
SMILESSCCN(CCS)CCN(CCS)CCS
InChIInChI=1S/C10H24N2S4/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16/h13-16H,1-10H2
InChIKeyWXCADXMBJDSKDR-UHFFFAOYSA-N
XLogP1.31
TPSA6.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.58
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethanethiol?
The IUPAC name of 2-[2-[bis(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethanethiol (CID 3035623) is 2-[2-[bis(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethanethiol.
What is the SMILES notation for 2-[2-[bis(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethanethiol?
The canonical SMILES for 2-[2-[bis(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethanethiol is SCCN(CCS)CCN(CCS)CCS.
What is the InChIKey of 2-[2-[bis(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethanethiol?
The InChIKey is WXCADXMBJDSKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S4/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16/h13-16H,1-10H2.
What are the key properties of 2-[2-[bis(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethanethiol?
2-[2-[bis(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethanethiol has a molecular weight of 300.58 g/mol, XLogP of 1.31, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethanethiol is sourced from PubChem (CID 3035623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).