N-[1-(ethanethioylamino)ethyl]ethanethioamide

C6H12N2S2 — CID 13193579

IUPACN-[1-(ethanethioylamino)ethyl]ethanethioamide
SMILESCC(=S)NC(C)NC(C)=S
InChIInChI=1S/C6H12N2S2/c1-4(7-5(2)9)8-6(3)10/h4H,1-3H3,(H,7,9)(H,8,10)
InChIKeyGABHZUNCGQSFGI-UHFFFAOYSA-N
MW176.31 g/mol
LogP1.21
Rot. Bonds2

About N-[1-(ethanethioylamino)ethyl]ethanethioamide

N-[1-(ethanethioylamino)ethyl]ethanethioamide (PubChem CID 13193579) has the molecular formula C6H12N2S2 and a molecular weight of 176.31 g/mol. Its IUPAC name is N-[1-(ethanethioylamino)ethyl]ethanethioamide.

Molecular Properties

Compound NameN-[1-(ethanethioylamino)ethyl]ethanethioamide
PubChem CID13193579
Molecular FormulaC6H12N2S2
Molecular Weight176.31 g/mol
Exact Mass176.04
IUPAC NameN-[1-(ethanethioylamino)ethyl]ethanethioamide
SMILESCC(=S)NC(C)NC(C)=S
InChIInChI=1S/C6H12N2S2/c1-4(7-5(2)9)8-6(3)10/h4H,1-3H3,(H,7,9)(H,8,10)
InChIKeyGABHZUNCGQSFGI-UHFFFAOYSA-N
XLogP1.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(ethanethioylamino)ethyl]ethanethioamide?
The IUPAC name of N-[1-(ethanethioylamino)ethyl]ethanethioamide (CID 13193579) is N-[1-(ethanethioylamino)ethyl]ethanethioamide.
What is the SMILES notation for N-[1-(ethanethioylamino)ethyl]ethanethioamide?
The canonical SMILES for N-[1-(ethanethioylamino)ethyl]ethanethioamide is CC(=S)NC(C)NC(C)=S.
What is the InChIKey of N-[1-(ethanethioylamino)ethyl]ethanethioamide?
The InChIKey is GABHZUNCGQSFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S2/c1-4(7-5(2)9)8-6(3)10/h4H,1-3H3,(H,7,9)(H,8,10).
What are the key properties of N-[1-(ethanethioylamino)ethyl]ethanethioamide?
N-[1-(ethanethioylamino)ethyl]ethanethioamide has a molecular weight of 176.31 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethanethioylamino)ethyl]ethanethioamide is sourced from PubChem (CID 13193579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).