N'-(2-hydroxyethyl)ethanedithioamide

C4H8N2OS2 — CID 3880839

IUPACN'-(2-hydroxyethyl)ethanedithioamide
SMILESNC(=S)C(=S)NCCO
InChIInChI=1S/C4H8N2OS2/c5-3(8)4(9)6-1-2-7/h7H,1-2H2,(H2,5,8)(H,6,9)
InChIKeyGSXFUHXCXJJPCT-UHFFFAOYSA-N
MW164.25 g/mol
LogP-0.82
Rot. Bonds2

About N'-(2-hydroxyethyl)ethanedithioamide

N'-(2-hydroxyethyl)ethanedithioamide (PubChem CID 3880839) has the molecular formula C4H8N2OS2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N'-(2-hydroxyethyl)ethanedithioamide.

Molecular Properties

Compound NameN'-(2-hydroxyethyl)ethanedithioamide
PubChem CID3880839
Molecular FormulaC4H8N2OS2
Molecular Weight164.25 g/mol
Exact Mass164.01
IUPAC NameN'-(2-hydroxyethyl)ethanedithioamide
SMILESNC(=S)C(=S)NCCO
InChIInChI=1S/C4H8N2OS2/c5-3(8)4(9)6-1-2-7/h7H,1-2H2,(H2,5,8)(H,6,9)
InChIKeyGSXFUHXCXJJPCT-UHFFFAOYSA-N
XLogP-0.82
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxyethyl)ethanedithioamide?
The IUPAC name of N'-(2-hydroxyethyl)ethanedithioamide (CID 3880839) is N'-(2-hydroxyethyl)ethanedithioamide.
What is the SMILES notation for N'-(2-hydroxyethyl)ethanedithioamide?
The canonical SMILES for N'-(2-hydroxyethyl)ethanedithioamide is NC(=S)C(=S)NCCO.
What is the InChIKey of N'-(2-hydroxyethyl)ethanedithioamide?
The InChIKey is GSXFUHXCXJJPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2OS2/c5-3(8)4(9)6-1-2-7/h7H,1-2H2,(H2,5,8)(H,6,9).
What are the key properties of N'-(2-hydroxyethyl)ethanedithioamide?
N'-(2-hydroxyethyl)ethanedithioamide has a molecular weight of 164.25 g/mol, XLogP of -0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxyethyl)ethanedithioamide is sourced from PubChem (CID 3880839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).