ethanedithioamide;sulfuric acid

C2H6N2O4S3 — CID 88778856

IUPACethanedithioamide;sulfuric acid
SMILESNC(=S)C(N)=S.O=S(=O)(O)O
InChIInChI=1S/C2H4N2S2.H2O4S/c3-1(5)2(4)6;1-5(2,3)4/h(H2,3,5)(H2,4,6);(H2,1,2,3,4)
InChIKeyOBZMLTITDCZINT-UHFFFAOYSA-N
MW218.28 g/mol
LogP-1.09
Rot. Bonds

About ethanedithioamide;sulfuric acid

ethanedithioamide;sulfuric acid (PubChem CID 88778856) has the molecular formula C2H6N2O4S3 and a molecular weight of 218.28 g/mol. Its IUPAC name is ethanedithioamide;sulfuric acid.

Molecular Properties

Compound Nameethanedithioamide;sulfuric acid
PubChem CID88778856
Molecular FormulaC2H6N2O4S3
Molecular Weight218.28 g/mol
Exact Mass217.95
IUPAC Nameethanedithioamide;sulfuric acid
SMILESNC(=S)C(N)=S.O=S(=O)(O)O
InChIInChI=1S/C2H4N2S2.H2O4S/c3-1(5)2(4)6;1-5(2,3)4/h(H2,3,5)(H2,4,6);(H2,1,2,3,4)
InChIKeyOBZMLTITDCZINT-UHFFFAOYSA-N
XLogP-1.09
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethanedithioamide;sulfuric acid?
The IUPAC name of ethanedithioamide;sulfuric acid (CID 88778856) is ethanedithioamide;sulfuric acid.
What is the SMILES notation for ethanedithioamide;sulfuric acid?
The canonical SMILES for ethanedithioamide;sulfuric acid is NC(=S)C(N)=S.O=S(=O)(O)O.
What is the InChIKey of ethanedithioamide;sulfuric acid?
The InChIKey is OBZMLTITDCZINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2S2.H2O4S/c3-1(5)2(4)6;1-5(2,3)4/h(H2,3,5)(H2,4,6);(H2,1,2,3,4).
What are the key properties of ethanedithioamide;sulfuric acid?
ethanedithioamide;sulfuric acid has a molecular weight of 218.28 g/mol, XLogP of -1.09, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanedithioamide;sulfuric acid is sourced from PubChem (CID 88778856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).