N-[2-(ethanethioylamino)ethyl]ethanethioamide

C6H12N2S2 — CID 19973379

IUPACN-[2-(ethanethioylamino)ethyl]ethanethioamide
SMILESCC(=S)NCCNC(C)=S
InChIInChI=1S/C6H12N2S2/c1-5(9)7-3-4-8-6(2)10/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyQIBCYJATODVBMJ-UHFFFAOYSA-N
MW176.31 g/mol
LogP0.86
Rot. Bonds3

About N-[2-(ethanethioylamino)ethyl]ethanethioamide

N-[2-(ethanethioylamino)ethyl]ethanethioamide (PubChem CID 19973379) has the molecular formula C6H12N2S2 and a molecular weight of 176.31 g/mol. Its IUPAC name is N-[2-(ethanethioylamino)ethyl]ethanethioamide.

Molecular Properties

Compound NameN-[2-(ethanethioylamino)ethyl]ethanethioamide
PubChem CID19973379
Molecular FormulaC6H12N2S2
Molecular Weight176.31 g/mol
Exact Mass176.04
IUPAC NameN-[2-(ethanethioylamino)ethyl]ethanethioamide
SMILESCC(=S)NCCNC(C)=S
InChIInChI=1S/C6H12N2S2/c1-5(9)7-3-4-8-6(2)10/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyQIBCYJATODVBMJ-UHFFFAOYSA-N
XLogP0.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethanethioylamino)ethyl]ethanethioamide?
The IUPAC name of N-[2-(ethanethioylamino)ethyl]ethanethioamide (CID 19973379) is N-[2-(ethanethioylamino)ethyl]ethanethioamide.
What is the SMILES notation for N-[2-(ethanethioylamino)ethyl]ethanethioamide?
The canonical SMILES for N-[2-(ethanethioylamino)ethyl]ethanethioamide is CC(=S)NCCNC(C)=S.
What is the InChIKey of N-[2-(ethanethioylamino)ethyl]ethanethioamide?
The InChIKey is QIBCYJATODVBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S2/c1-5(9)7-3-4-8-6(2)10/h3-4H2,1-2H3,(H,7,9)(H,8,10).
What are the key properties of N-[2-(ethanethioylamino)ethyl]ethanethioamide?
N-[2-(ethanethioylamino)ethyl]ethanethioamide has a molecular weight of 176.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethanethioylamino)ethyl]ethanethioamide is sourced from PubChem (CID 19973379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).