ethylazanium;N-ethylcarbamodithioate

C5H14N2S2 — CID 5462691

IUPACethylazanium;N-ethylcarbamodithioate
SMILESCCNC(=S)[S-].CC[NH3+]
InChIInChI=1S/C3H7NS2.C2H7N/c1-2-4-3(5)6;1-2-3/h2H2,1H3,(H2,4,5,6);2-3H2,1H3
InChIKeyXSBNNDUUIRIBKE-UHFFFAOYSA-N
MW166.31 g/mol
LogP-0.32
Rot. Bonds1

About ethylazanium;N-ethylcarbamodithioate

ethylazanium;N-ethylcarbamodithioate (PubChem CID 5462691) has the molecular formula C5H14N2S2 and a molecular weight of 166.31 g/mol. Its IUPAC name is ethylazanium;N-ethylcarbamodithioate.

Molecular Properties

Compound Nameethylazanium;N-ethylcarbamodithioate
PubChem CID5462691
Molecular FormulaC5H14N2S2
Molecular Weight166.31 g/mol
Exact Mass166.06
IUPAC Nameethylazanium;N-ethylcarbamodithioate
SMILESCCNC(=S)[S-].CC[NH3+]
InChIInChI=1S/C3H7NS2.C2H7N/c1-2-4-3(5)6;1-2-3/h2H2,1H3,(H2,4,5,6);2-3H2,1H3
InChIKeyXSBNNDUUIRIBKE-UHFFFAOYSA-N
XLogP-0.32
TPSA39.67 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylazanium;N-ethylcarbamodithioate?
The IUPAC name of ethylazanium;N-ethylcarbamodithioate (CID 5462691) is ethylazanium;N-ethylcarbamodithioate.
What is the SMILES notation for ethylazanium;N-ethylcarbamodithioate?
The canonical SMILES for ethylazanium;N-ethylcarbamodithioate is CCNC(=S)[S-].CC[NH3+].
What is the InChIKey of ethylazanium;N-ethylcarbamodithioate?
The InChIKey is XSBNNDUUIRIBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS2.C2H7N/c1-2-4-3(5)6;1-2-3/h2H2,1H3,(H2,4,5,6);2-3H2,1H3.
What are the key properties of ethylazanium;N-ethylcarbamodithioate?
ethylazanium;N-ethylcarbamodithioate has a molecular weight of 166.31 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylazanium;N-ethylcarbamodithioate is sourced from PubChem (CID 5462691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).